G4VSN3_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession G4VSN3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 673 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.3Very low35.8Very low161 Ų161132 Ų13279%0.79372%0.72SS**  019.50-79.3-80159.700112.8D3 G20 Y22M1-D3 VanDerWaalsContact C-N 3.25Å; M1-D3 PolarHBondContact O-N 2.96Å; M1-G20 WeakPolarHBondContact CE-O 3.49Å; M1-Y22 HydrophobicContact CE-CD2 3.74Å; M1-Y22 HydrophobicContact CE-CE2 3.68Å; M1-Y22 HydrophobicContact CG-CE2 4.22Å; M1-Y22 HydrophobicContact SD-CD2 3.56Å; M1-Y22 VanDerWaalsContact SD-CD2 3.56Å; M1-Y22 HydrophobicContact SD-CE2 3.51Å; M1-Y22 VanDerWaalsContact SD-CE2 3.51Å
2S33.3Very low36.5Very low125 Ų125123.8 Ų123.887%0.87468%0.679SS**THydrogen-bonded Turntrans-83.16.8-177.5-40.40000114.5
3D33.7Very low37.4Very low147 Ų147116 Ų11679%0.78664%0.642SS**THydrogen-bonded Turntrans-127.810.9-161.9-114.53.2000115.8M1M1-D3 VanDerWaalsContact C-N 3.25Å; M1-D3 PolarHBondContact O-N 2.96Å
4Q35.7Very low38.2Very low139 Ų139111.4 Ų111.465%0.6561%0.611SS**  trans-102.993.5161.2-78.3-176.8-6.300108V6Q4-V6 VanDerWaalsContact C-N 3.31Å; Q4-V6 PolarHBondContact O-N 2.9Å
5M30Very low38.9Very low186 Ų186104.1 Ų104.192%0.91657%0.57SS**  trans-57.593.4170.2-67.4-169.8159.900109
6V36.6Very low39.2Very low68 Ų6898.8 Ų98.841%0.41254%0.544SS..  trans-97.3122164.1177.20000105.6Q4 P8 Y14Q4-V6 VanDerWaalsContact C-N 3.31Å; Q4-V6 PolarHBondContact O-N 2.9Å; V6-P8 WeakPolarHBondContact O-CD 3.45Å; V6-P8 VanDerWaalsContact O-N 3.15Å; V6-Y14 WeakPolarHBondContact CG1-OH 3.33Å; V6-Y14 HydrophobicContact CG2-CE1 4.35Å; V6-Y14 VanDerWaalsContact CG2-OH 3.24Å; V6-Y14 WeakPolarHBondContact CG2-OH 3.38Å
7D34.3Very low39.2Very low118 Ų11895.6 Ų95.663%0.63153%0.527SS*.  trans-58.5117176.2-133.3-40.9000108N9 E10D7-N9 PolarHBondContact O-N 3.09Å; D7-E10 PolarHBondContact O-N 3.11Å
8P40.9Very low39.1Very low117 Ų11795.6 Ų95.676%0.7654%0.541SS*.THydrogen-bonded Turntrans-66.52.1-170.323.7-33.1000114.5V6V6-P8 WeakPolarHBondContact O-CD 3.45Å; V6-P8 VanDerWaalsContact O-N 3.15Å
9N38.2Very low39.4Very low141 Ų14198.5 Ų98.575%0.75456%0.555SS**THydrogen-bonded Turntrans-101.4-4.4-176.4-68.9-32.5000114.3D7D7-N9 PolarHBondContact O-N 3.09Å
10E37.6Very low39.4Very low152 Ų15295.5 Ų95.571%0.7155%0.547SS*.SBendtrans-110.2117172.4-73.8-169.816600111.3D7 S12D7-E10 PolarHBondContact O-N 3.11Å; E10-S12 PolarHBondContact O-N 3.31Å; E10-S12 PolarHBondContact O-OG 2.95Å
11P44Very low39.5Very low98 Ų9894.2 Ų94.264%0.63654%0.541SS*.  trans-62.9124.3174.327.5-31000107.6F27P11-F27 VanDerWaalsContact C-CE1 3.48Å; P11-F27 HydrophobicContact CB-CE1 4.39Å; P11-F27 HydrophobicContact CB-CZ 3.8Å; P11-F27 HydrophobicContact CG-CZ 3.83Å; P11-F27 WeakPolarHBondContact O-CE1 3.48Å; P11-F27 WeakPolarHBondContact O-CZ 3.49Å
12S44.6Very low40.2Very low33 Ų3391.2 Ų91.223%0.23152%0.522CS..  trans-138.3127.8-175.936.50000107.4E10 Y14E10-S12 PolarHBondContact O-N 3.31Å; E10-S12 PolarHBondContact O-OG 2.95Å; S12-Y14 WeakPolarHBondContact CB-OH 3.24Å; S12-Y14 VanDerWaalsContact O-CD2 3.29Å; S12-Y14 WeakPolarHBondContact O-CD2 3.03Å; S12-Y14 WeakPolarHBondContact O-CE2 2.97Å; S12-Y14 VanDerWaalsContact OG-CE2 3.28Å; S12-Y14 WeakPolarHBondContact OG-CE2 3.33Å; S12-Y14 PolarHBondContact OG-OH 3.11Å
13A48.5Very low40.9Very low23 Ų2387.5 Ų87.519%0.1949%0.494CS..EExtended strand (participates in β ladder)trans-84.7143176.300000108.6A24 I25 F27 L37A13-A24 CarbonylContact O-C 3.57Å; A13-A24 WeakPolarHBondContact O-CA 3.39Å; A13-I25 HydrophobicContact CB-CB 4.36Å; A13-I25 HydrophobicContact CB-CD1 4.42Å; A13-I25 PolarHBondContact O-N 2.8Å; A13-F27 HydrophobicContact CB-CD1 4.17Å; A13-L37 HydrophobicContact CB-CD2 3.55Å
14Y47.9Very low41.6Very low52 Ų5283.1 Ų83.120%0.20448%0.478CS..EExtended strand (participates in β ladder)trans-126.4135.5-178.5-65.9-88.3000111.1V6 S12 T23 A24V6-Y14 WeakPolarHBondContact CG1-OH 3.33Å; V6-Y14 HydrophobicContact CG2-CE1 4.35Å; V6-Y14 VanDerWaalsContact CG2-OH 3.24Å; V6-Y14 WeakPolarHBondContact CG2-OH 3.38Å; S12-Y14 WeakPolarHBondContact CB-OH 3.24Å; S12-Y14 VanDerWaalsContact O-CD2 3.29Å; S12-Y14 WeakPolarHBondContact O-CD2 3.03Å; S12-Y14 WeakPolarHBondContact O-CE2 2.97Å; S12-Y14 VanDerWaalsContact OG-CE2 3.28Å; S12-Y14 WeakPolarHBondContact OG-CE2 3.33Å; S12-Y14 PolarHBondContact OG-OH 3.11Å; Y14-T23 CarbonylContact C-O 3.36Å; Y14-T23 WeakPolarHBondContact CA-O 3.21Å; Y14-A24 HydrophobicContact CD1-CB 4.01Å; Y14-A24 HydrophobicContact CE1-CB 3.63Å
15I48.8Very low42.2Very low1 Ų176.7 Ų76.71%0.00545%0.448CS..EExtended strand (participates in β ladder)trans-93.7128.3162.6-68.9161.6000108Y22 T23 I25 L39 M42 L44 M51I15-Y22 CarbonylContact O-C 3.51Å; I15-Y22 VanDerWaalsContact O-CA 3.32Å; I15-Y22 WeakPolarHBondContact O-CA 3.04Å; I15-T23 PolarHBondContact N-O 3.35Å; I15-T23 PolarHBondContact O-N 2.94Å; I15-T23 PolarHBondContact O-OG1 2.85Å; I15-I25 HydrophobicContact CD1-CD1 3.49Å; I15-I25 VanDerWaalsContact CD1-CD1 3.49Å; I15-I25 HydrophobicContact CD1-CG1 3.59Å; I15-I25 HydrophobicContact CG1-CD1 3.39Å; I15-I25 HydrophobicContact CG1-CG1 3.75Å; I15-L39 HydrophobicContact CD1-CD2 3.94Å; I15-M42 HydrophobicContact CD1-CE 3.88Å; I15-L44 HydrophobicContact CD1-CD1 4.37Å; I15-M51 HydrophobicContact CD1-CE 3.78Å; I15-M51 HydrophobicContact CD1-SD 4.09Å; I15-M51 HydrophobicContact CG2-SD 3.83Å
16A43.8Very low42.7Very low19 Ų1970.7 Ų70.716%0.15742%0.423CS..EExtended strand (participates in β ladder)trans-83.1113.5167.100000108.8Y22 I54A16-Y22 HydrophobicContact CB-CD1 3.93Å; A16-Y22 HydrophobicContact CB-CE1 3.65Å; A16-I54 HydrophobicContact CB-CD1 4.31Å
17N38.7Very low43.3Very low46 Ų4670 Ų7025%0.24642%0.415CS..  trans-77.8154.1174.2-60.4-35.3000110D19 G20 T21 T23N17-D19 PolarHBondContact O-N 2.89Å; N17-D19 VanDerWaalsContact O-N 3.1Å; N17-G20 WeakPolarHBondContact O-CA 3.47Å; N17-G20 PolarHBondContact O-N 3.41Å; N17-T21 WeakPolarHBondContact CB-O 3.28Å; N17-T21 PolarHBondContact N-O 3.48Å; N17-T21 PolarHBondContact ND2-OG1 2.91Å; N17-T23 PolarHBondContact ND2-OG1 3.35Å; N17-T23 PolarHBondContact OD1-OG1 2.95Å
18A37.6Very low43.7Very low95 Ų9566.6 Ų66.679%0.78540%0.4SS*.THydrogen-bonded Turntrans-55.5-2917900000113.9G20A18-G20 PolarHBondContact O-N 3.46Å; A18-G20 VanDerWaalsContact O-N 3.07Å
19D44.5Very low43.7Very low150 Ų15067.3 Ų67.380%0.80239%0.393SS*.THydrogen-bonded Turntrans-70.30.6174.6-63.8-24.6000113.6N17 T21N17-D19 PolarHBondContact O-N 2.89Å; N17-D19 VanDerWaalsContact O-N 3.1Å; D19-T21 VanDerWaalsContact C-N 3.27Å; D19-T21 PolarHBondContact O-N 2.88Å
20G40.3Very low43.7Very low39 Ų3963.1 Ų63.140%0.40237%0.373SS..SBendtrans76.111.1-175.500000113.4M1 N17 A18M1-G20 WeakPolarHBondContact CE-O 3.49Å; N17-G20 WeakPolarHBondContact O-CA 3.47Å; N17-G20 PolarHBondContact O-N 3.41Å; A18-G20 PolarHBondContact O-N 3.46Å; A18-G20 VanDerWaalsContact O-N 3.07Å
21T41.9Very low43.7Very low68 Ų6865.7 Ų65.742%0.41739%0.385SS..  trans-86.7150.1173.559.70000110.8N17 D19N17-T21 WeakPolarHBondContact CB-O 3.28Å; N17-T21 PolarHBondContact N-O 3.48Å; N17-T21 PolarHBondContact ND2-OG1 2.91Å; D19-T21 VanDerWaalsContact C-N 3.27Å; D19-T21 PolarHBondContact O-N 2.88Å
22Y44.2Very low43.2Very low99 Ų9968 Ų6839%0.38839%0.392SS..EExtended strand (participates in β ladder)trans-106.5126.7175.3-64.2-91.8000109.1M1 I15 A16M1-Y22 HydrophobicContact CE-CD2 3.74Å; M1-Y22 HydrophobicContact CE-CE2 3.68Å; M1-Y22 HydrophobicContact CG-CE2 4.22Å; M1-Y22 HydrophobicContact SD-CD2 3.56Å; M1-Y22 VanDerWaalsContact SD-CD2 3.56Å; M1-Y22 HydrophobicContact SD-CE2 3.51Å; M1-Y22 VanDerWaalsContact SD-CE2 3.51Å; I15-Y22 CarbonylContact O-C 3.51Å; I15-Y22 VanDerWaalsContact O-CA 3.32Å; I15-Y22 WeakPolarHBondContact O-CA 3.04Å; A16-Y22 HydrophobicContact CB-CD1 3.93Å; A16-Y22 HydrophobicContact CB-CE1 3.65Å
23T47.1Very low42.8Very low47 Ų4769.1 Ų69.129%0.28841%0.408SS..EExtended strand (participates in β ladder)trans-104120.5173.2270000109.1Y14 I15 N17 I25Y14-T23 CarbonylContact C-O 3.36Å; Y14-T23 WeakPolarHBondContact CA-O 3.21Å; I15-T23 PolarHBondContact N-O 3.35Å; I15-T23 PolarHBondContact O-N 2.94Å; I15-T23 PolarHBondContact O-OG1 2.85Å; N17-T23 PolarHBondContact ND2-OG1 3.35Å; N17-T23 PolarHBondContact OD1-OG1 2.95Å; T23-I25 PolarHBondContact O-N 2.94Å
24A48.1Very low42Very low55 Ų5573 Ų7346%0.45542%0.422SS..EExtended strand (participates in β ladder)trans-68.2122.5173.900000109A13 Y14A13-A24 CarbonylContact O-C 3.57Å; A13-A24 WeakPolarHBondContact O-CA 3.39Å; Y14-A24 HydrophobicContact CD1-CB 4.01Å; Y14-A24 HydrophobicContact CE1-CB 3.63Å
25I47.9Very low41.6Very low4 Ų474.3 Ų74.32%0.02144%0.436CS..EExtended strand (participates in β ladder)trans-88.6121.1170.8-51.7161.7000107.7A13 I15 T23 F27 L37 L39 M42A13-I25 HydrophobicContact CB-CB 4.36Å; A13-I25 HydrophobicContact CB-CD1 4.42Å; A13-I25 PolarHBondContact O-N 2.8Å; I15-I25 HydrophobicContact CD1-CD1 3.49Å; I15-I25 VanDerWaalsContact CD1-CD1 3.49Å; I15-I25 HydrophobicContact CD1-CG1 3.59Å; I15-I25 HydrophobicContact CG1-CD1 3.39Å; I15-I25 HydrophobicContact CG1-CG1 3.75Å; T23-I25 PolarHBondContact O-N 2.94Å; I25-F27 PolarHBondContact O-N 2.85Å; I25-L37 HydrophobicContact CB-CD2 4.28Å; I25-L37 HydrophobicContact CD1-CD2 4.25Å; I25-L37 HydrophobicContact CG2-CB 4.21Å; I25-L37 HydrophobicContact CG2-CD2 4.03Å; I25-L39 HydrophobicContact CD1-CD2 3.99Å; I25-L39 HydrophobicContact CG1-CD2 4.3Å; I25-L39 HydrophobicContact CG2-CD2 4.08Å; I25-M42 HydrophobicContact CB-CE 4.48Å; I25-M42 HydrophobicContact CG1-CE 3.84Å
26P42Very low41.2Very low60 Ų6077.1 Ų77.139%0.3945%0.453SS..PPolyproline II helixtrans-63.9128167.325.9-30.1000109.2Q38P26-Q38 HydrophobicContact CG-CB 4.47Å; P26-Q38 PolarHBondContact O-N 3.02Å
27F49.1Very low41.3Very low54 Ų5479.6 Ų79.624%0.23746%0.463CS..EExtended strand (participates in β ladder)trans-118152.3168.667.5-100.1000110.4P11 A13 I25 Q29 V35 V36 L37P11-F27 VanDerWaalsContact C-CE1 3.48Å; P11-F27 HydrophobicContact CB-CE1 4.39Å; P11-F27 HydrophobicContact CB-CZ 3.8Å; P11-F27 HydrophobicContact CG-CZ 3.83Å; P11-F27 WeakPolarHBondContact O-CE1 3.48Å; P11-F27 WeakPolarHBondContact O-CZ 3.49Å; A13-F27 HydrophobicContact CB-CD1 4.17Å; I25-F27 PolarHBondContact O-N 2.85Å; F27-Q29 HydrophobicContact CE2-CG 4.33Å; F27-V35 HydrophobicContact CB-CG1 3.74Å; F27-V35 HydrophobicContact CD1-CG1 4.48Å; F27-V35 HydrophobicContact CD2-CG1 3.54Å; F27-V35 HydrophobicContact CE2-CG1 4.23Å; F27-V35 HydrophobicContact CG-CG1 3.69Å; F27-V36 CarbonylContact C-O 3.51Å; F27-V36 WeakPolarHBondContact CA-O 3.36Å; F27-V36 WeakPolarHBondContact CB-O 3.26Å; F27-L37 HydrophobicContact CB-CD2 3.87Å
28S43Very low41.5Very low46 Ų4680.6 Ų80.632%0.32247%0.466SS..EExtended strand (participates in β ladder)trans-118.6133.3171.950.70000109.2V36 Q38S28-V36 PolarHBondContact N-O 3.42Å; S28-V36 PolarHBondContact O-N 3.15Å; S28-Q38 PolarHBondContact OG-NE2 3.04Å
29Q39.6Very low41.8Very low131 Ų13178.9 Ų78.961%0.61244%0.443SS*.EExtended strand (participates in β ladder)trans-85.5125.9168.6-77.2177.914.900109.3F27 Q34 V35F27-Q29 HydrophobicContact CE2-CG 4.33Å; Q29-Q34 CarbonylContact C-O 3.53Å; Q29-Q34 WeakPolarHBondContact CA-O 2.85Å; Q29-V35 HydrophobicContact CG-CG2 3.86Å
30T38.5Very low41.5Very low53 Ų5378.3 Ų78.333%0.32544%0.44SS..  trans-74.7163.8170.862.60000110.5D32 G33 Q34 V36T30-D32 PolarHBondContact O-N 3.27Å; T30-D32 VanDerWaalsContact O-N 3.11Å; T30-G33 PolarHBondContact O-N 2.92Å; T30-Q34 PolarHBondContact N-O 2.81Å; T30-Q34 WeakPolarHBondContact OG1-CB 3.21Å; T30-Q34 PolarHBondContact OG1-N 3.19Å; T30-Q34 PolarHBondContact OG1-O 2.93Å; T30-V36 HydrophobicContact CG2-CG2 3.99Å
31E38.3Very low41.3Very low206 Ų20683.5 Ų83.596%0.96345%0.454SS*.THydrogen-bonded Turntrans-57.7-24.9177.6-63.7-175.9172.600112.8G33E31-G33 VanDerWaalsContact C-N 3.28Å; E31-G33 PolarHBondContact O-N 3.2Å
32D33.3Very low41.3Very low148 Ų14883 Ų8379%0.79145%0.448SS*.THydrogen-bonded Turntrans-84.43.7176-64.2-47.3000113.7T30T30-D32 PolarHBondContact O-N 3.27Å; T30-D32 VanDerWaalsContact O-N 3.11Å
33G35.6Very low40.8Very low55 Ų5581.4 Ų81.457%0.56746%0.462SS*.SBendtrans78.914.2177.400000114.9T30 E31T30-G33 PolarHBondContact O-N 2.92Å; E31-G33 VanDerWaalsContact C-N 3.28Å; E31-G33 PolarHBondContact O-N 3.2Å
34Q31.6Very low40.3Very low106 Ų10682.2 Ų82.250%0.49546%0.464SS..  trans-82.5135.6173.5-61.9178.7-20.300110.5Q29 T30Q29-Q34 CarbonylContact C-O 3.53Å; Q29-Q34 WeakPolarHBondContact CA-O 2.85Å; T30-Q34 PolarHBondContact N-O 2.81Å; T30-Q34 WeakPolarHBondContact OG1-CB 3.21Å; T30-Q34 PolarHBondContact OG1-N 3.19Å; T30-Q34 PolarHBondContact OG1-O 2.93Å
35V39.2Very low39.5Very low79 Ų7984 Ų8448%0.47947%0.473SS..EExtended strand (participates in β ladder)trans-94.3108.5178.6179.20000108.8F27 Q29F27-V35 HydrophobicContact CB-CG1 3.74Å; F27-V35 HydrophobicContact CD1-CG1 4.48Å; F27-V35 HydrophobicContact CD2-CG1 3.54Å; F27-V35 HydrophobicContact CE2-CG1 4.23Å; F27-V35 HydrophobicContact CG-CG1 3.69Å; Q29-V35 HydrophobicContact CG-CG2 3.86Å
36V41.6Very low38.8Very low60 Ų6087.7 Ų87.736%0.36449%0.493SS..EExtended strand (participates in β ladder)trans-97118.1177.6-178.10000109F27 S28 T30F27-V36 CarbonylContact C-O 3.51Å; F27-V36 WeakPolarHBondContact CA-O 3.36Å; F27-V36 WeakPolarHBondContact CB-O 3.26Å; S28-V36 PolarHBondContact N-O 3.42Å; S28-V36 PolarHBondContact O-N 3.15Å; T30-V36 HydrophobicContact CG2-CG2 3.99Å
37L45.5Very low38.3Very low71 Ų7194.1 Ų94.137%0.37252%0.518SS..EExtended strand (participates in β ladder)trans-85.5119.3176.5-66.6161000109.6A13 I25 F27 L39A13-L37 HydrophobicContact CB-CD2 3.55Å; I25-L37 HydrophobicContact CB-CD2 4.28Å; I25-L37 HydrophobicContact CD1-CD2 4.25Å; I25-L37 HydrophobicContact CG2-CB 4.21Å; I25-L37 HydrophobicContact CG2-CD2 4.03Å; F27-L37 HydrophobicContact CB-CD2 3.87Å; L37-L39 PolarHBondContact O-N 3.07Å
38Q43.6Very low37.5Very low67 Ų6795.4 Ų95.431%0.31355%0.546SS..  trans-85.876.9-177.7-63.8-176.39.800111P26 S28 N40P26-Q38 HydrophobicContact CG-CB 4.47Å; P26-Q38 PolarHBondContact O-N 3.02Å; S28-Q38 PolarHBondContact OG-NE2 3.04Å; Q38-N40 VanDerWaalsContact C-N 3.32Å
39L42.8Very low36.9Very low59 Ų5999.3 Ų99.331%0.30956%0.559SS.*  trans-72.6-25.1178.4-63.3174.4000113I15 I25 L37 E41 M42I15-L39 HydrophobicContact CD1-CD2 3.94Å; I25-L39 HydrophobicContact CD1-CD2 3.99Å; I25-L39 HydrophobicContact CG1-CD2 4.3Å; I25-L39 HydrophobicContact CG2-CD2 4.08Å; L37-L39 PolarHBondContact O-N 3.07Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 3.03Å; L39-M42 PolarHBondContact O-N 2.75Å
40N38.6Very low36.5Very low138 Ų13898.8 Ų98.874%0.73856%0.557SS**G310 helixtrans-65.8-30.4-174.5-68.6-8.4000113.6Q38 M42Q38-N40 VanDerWaalsContact C-N 3.32Å; N40-M42 VanDerWaalsContact C-N 3.27Å; N40-M42 PolarHBondContact O-N 3.37Å
41E35.9Very low36.2Very low148 Ų14898.4 Ų98.469%0.69255%0.552SS**G310 helixtrans-73-21.2-179.4-65-164.2159.200112.8L39 G43L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 3.03Å; E41-G43 VanDerWaalsContact C-N 3.26Å; E41-G43 PolarHBondContact O-N 3.33Å
42M41.5Very low36.2Very low57 Ų5792.5 Ų92.528%0.28153%0.529SS..G310 helixtrans-82.6-1.3-175.6-61.9-144.9-68.900113.7I15 I25 L39 N40 L44I15-M42 HydrophobicContact CD1-CE 3.88Å; I25-M42 HydrophobicContact CB-CE 4.48Å; I25-M42 HydrophobicContact CG1-CE 3.84Å; L39-M42 PolarHBondContact O-N 2.75Å; N40-M42 VanDerWaalsContact C-N 3.27Å; N40-M42 PolarHBondContact O-N 3.37Å; M42-L44 HydrophobicContact CB-CD1 3.98Å; M42-L44 HydrophobicContact CB-CG 3.95Å; M42-L44 HydrophobicContact CE-CD1 3.8Å; M42-L44 PolarHBondContact O-N 2.75Å
43G33.5Very low36.3Very low66 Ų6689.8 Ų89.868%0.6852%0.515SS*.THydrogen-bonded Turntrans56.520.5175.700000113.9E41 S45E41-G43 VanDerWaalsContact C-N 3.26Å; E41-G43 PolarHBondContact O-N 3.33Å; G43-S45 PolarHBondContact O-N 3.43Å
44L36.8Very low36.1Very low63 Ų6391.6 Ų91.633%0.3351%0.51SS..  trans-73.177.8-179-69.4171000109.1I15 M42 N46 M51I15-L44 HydrophobicContact CD1-CD1 4.37Å; M42-L44 HydrophobicContact CB-CD1 3.98Å; M42-L44 HydrophobicContact CB-CG 3.95Å; M42-L44 HydrophobicContact CE-CD1 3.8Å; M42-L44 PolarHBondContact O-N 2.75Å; L44-N46 PolarHBondContact O-N 3.26Å; L44-M51 HydrophobicContact CD1-CE 4.35Å; L44-M51 HydrophobicContact CD1-SD 4.39Å
45S31.6Very low36.3Very low94 Ų9489 Ų8966%0.65751%0.507SS*.  trans-88.785.8164.1173.40000107.4G43G43-S45 PolarHBondContact O-N 3.43Å
46N33.8Very low36Very low80 Ų8088.7 Ų88.743%0.42851%0.512SS..  trans-112.496.9179.2-85.3-1000111.3L44 G48 E49L44-N46 PolarHBondContact O-N 3.26Å; N46-G48 VanDerWaalsContact C-N 3.28Å; N46-G48 PolarHBondContact O-N 3.34Å; N46-E49 HydrophobicContact CB-CB 4.13Å; N46-E49 PolarHBondContact ND2-OE2 2.9Å
47E31.1Very low35.5Very low196 Ų19690.1 Ų90.192%0.91652%0.518SS*.SBendtrans-56.691.7155.5-63.7-179.3161.300108.6
48G32.9Very low35.1Very low81 Ų8195.2 Ų95.284%0.83555%0.546SS*.SBendtrans89.322.4162.400000118.4N46N46-G48 VanDerWaalsContact C-N 3.28Å; N46-G48 PolarHBondContact O-N 3.34Å
49E30.3Very low34.9Very low128 Ų12897.1 Ų97.160%0.59856%0.562SS**  trans-102.9124.8170.3-63.8-171.8165.700111.8N46 M51N46-E49 HydrophobicContact CB-CB 4.13Å; N46-E49 PolarHBondContact ND2-OE2 2.9Å; E49-M51 PolarHBondContact O-N 2.82Å
50E29.7Very low34.9Very low119 Ų11995.6 Ų95.656%0.55656%0.558SS**  trans-57.5114.2-179.9-76.8175.2162.600111.6Q102E50-Q102 PolarHBondContact OE1-NE2 2.78Å
51M32.6Very low35.2Very low45 Ų4592.6 Ų92.622%0.22255%0.545CS..  trans-100.9116.2176-74.7-105.6-74.800110.2I15 L44 E49I15-M51 HydrophobicContact CD1-CE 3.78Å; I15-M51 HydrophobicContact CD1-SD 4.09Å; I15-M51 HydrophobicContact CG2-SD 3.83Å; L44-M51 HydrophobicContact CD1-CE 4.35Å; L44-M51 HydrophobicContact CD1-SD 4.39Å; E49-M51 PolarHBondContact O-N 2.82Å
52V37.7Very low35.5Very low82 Ų8289.8 Ų89.850%0.49753%0.534SS..EExtended strand (participates in β ladder)trans-101.6107.7178.1-176.90000109.4I54V52-I54 HydrophobicContact CG1-CG1 4.09Å; V52-I54 PolarHBondContact O-N 2.95Å
53L36.1Very low35.8Very low92 Ų9294.6 Ų94.648%0.48256%0.556SS.*EExtended strand (participates in β ladder)trans-81.6108.7174.4-76.2159.3000109.7F85L53-F85 HydrophobicContact CD1-CE1 4.42Å; L53-F85 HydrophobicContact CD1-CZ 3.82Å
54I31.4Very low36.3Very low93 Ų9393.9 Ų93.948%0.47754%0.541SS..EExtended strand (participates in β ladder)trans-100.6104.5172.2-54.9176.4000107.5A16 V52 A56A16-I54 HydrophobicContact CB-CD1 4.31Å; V52-I54 HydrophobicContact CG1-CG1 4.09Å; V52-I54 PolarHBondContact O-N 2.95Å; I54-A56 PolarHBondContact O-N 3.39Å
55A35.1Very low36.5Very low51 Ų5193.8 Ų93.842%0.42154%0.54SS..  trans-69.3112.7171.600000108.9D57 A60 L65A55-D57 VanDerWaalsContact C-N 3.33Å; A55-D57 PolarHBondContact O-N 2.94Å; A55-D57 VanDerWaalsContact O-N 3.16Å; A55-A60 HydrophobicContact CB-CB 4.11Å; A55-L65 HydrophobicContact CB-CD1 4.45Å
56A34.8Very low37.1Very low72 Ų7293 Ų9360%0.59553%0.528SS*.  trans-87.764.8-175.900000111.7I54I54-A56 PolarHBondContact O-N 3.39Å
57D31Very low37.7Very low91 Ų9193.4 Ų93.449%0.48754%0.542SS..SBendtrans-158.7149.6147.86045.6000110.4A55 T59 A60A55-D57 VanDerWaalsContact C-N 3.33Å; A55-D57 PolarHBondContact O-N 2.94Å; A55-D57 VanDerWaalsContact O-N 3.16Å; D57-T59 VanDerWaalsContact CG-OG1 3.29Å; D57-T59 PolarHBondContact O-N 2.95Å; D57-T59 PolarHBondContact OD1-N 3.49Å; D57-T59 PolarHBondContact OD1-OG1 3.45Å; D57-A60 PolarHBondContact O-N 3.19Å; D57-A60 WeakPolarHBondContact OD1-CB 3.5Å; D57-A60 PolarHBondContact OD1-N 3.04Å
58D37.1Very low38.5Very low177 Ų17787.7 Ų87.795%0.94752%0.524SS*.THydrogen-bonded Turntrans-61.43.3-179.1-67.8-31.7000113.7
59T39.4Very low38.9Very low108 Ų10886 Ų8666%0.66351%0.506SS*.THydrogen-bonded Turntrans-116.8-20.8-174.947.60000113.8D57 T61 S64D57-T59 VanDerWaalsContact CG-OG1 3.29Å; D57-T59 PolarHBondContact O-N 2.95Å; D57-T59 PolarHBondContact OD1-N 3.49Å; D57-T59 PolarHBondContact OD1-OG1 3.45Å; T59-T61 PolarHBondContact O-N 3.27Å; T59-S64 PolarHBondContact O-OG 3.41Å
60A41.7Very low39.3Very low27 Ų2782.3 Ų82.322%0.22350%0.498CS..  trans-95.968.1-179.200000111.3A55 D57A55-A60 HydrophobicContact CB-CB 4.11Å; D57-A60 PolarHBondContact O-N 3.19Å; D57-A60 WeakPolarHBondContact OD1-CB 3.5Å; D57-A60 PolarHBondContact OD1-N 3.04Å
61T45.1Very low39.8Very low74 Ų7477 Ų7745%0.45447%0.473SS..  trans-62.1150.8163.357.20000109.4T59 E63 S64 L65T59-T61 PolarHBondContact O-N 3.27Å; T61-E63 PolarHBondContact O-N 2.85Å; T61-S64 WeakPolarHBondContact O-CA 3.31Å; T61-S64 VanDerWaalsContact O-CB 3.27Å; T61-S64 WeakPolarHBondContact O-CB 3.33Å; T61-S64 PolarHBondContact O-N 2.7Å; T61-S64 PolarHBondContact OG1-N 3.29Å; T61-S64 PolarHBondContact OG1-OG 3.17Å; T61-L65 PolarHBondContact O-N 3.31Å
62L41.8Very low40.5Very low89 Ų8977.3 Ų77.347%0.46648%0.478SS..Hα-helixtrans-50.1-34.3172.1-172.874.3000111.6S64 L65 I66L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 3.5Å; L62-L65 PolarHBondContact O-N 2.92Å; L62-I66 HydrophobicContact CD2-CD1 4.43Å; L62-I66 HydrophobicContact CG-CD1 4.08Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 PolarHBondContact O-N 2.68Å
63E47.5Very low40.7Very low158 Ų15876.3 Ų76.374%0.73848%0.478SS*.Hα-helixtrans-60.3-38173.3-62.9-175160.100112.8T61 A67T61-E63 PolarHBondContact O-N 2.85Å; E63-A67 WeakPolarHBondContact O-CB 3.49Å; E63-A67 PolarHBondContact O-N 2.98Å
64S45.1Very low41.3Very low52 Ų5275.6 Ų75.636%0.36447%0.474SS..Hα-helixtrans-70.5-33.4176.5-55.90000112T59 T61 L62 S68T59-S64 PolarHBondContact O-OG 3.41Å; T61-S64 WeakPolarHBondContact O-CA 3.31Å; T61-S64 VanDerWaalsContact O-CB 3.27Å; T61-S64 WeakPolarHBondContact O-CB 3.33Å; T61-S64 PolarHBondContact O-N 2.7Å; T61-S64 PolarHBondContact OG1-N 3.29Å; T61-S64 PolarHBondContact OG1-OG 3.17Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 3.5Å; S64-S68 WeakPolarHBondContact O-CB 3.4Å; S64-S68 PolarHBondContact O-N 3.1Å; S64-S68 PolarHBondContact O-OG 3.05Å
65L40.5Very low42Very low60 Ų6074.2 Ų74.231%0.31448%0.476SS..Hα-helixtrans-75.2-35.4175.8-69171.7000113.1A55 T61 L62 S68 G69 A70 V71A55-L65 HydrophobicContact CB-CD1 4.45Å; T61-L65 PolarHBondContact O-N 3.31Å; L62-L65 PolarHBondContact O-N 2.92Å; L65-S68 PolarHBondContact O-OG 2.9Å; L65-G69 PolarHBondContact O-N 3.49Å; L65-A70 PolarHBondContact O-N 2.85Å; L65-V71 HydrophobicContact CB-CG2 4.13Å; L65-V71 PolarHBondContact O-N 3.15Å
66I45.3Very low42.2Very low79 Ų7973.5 Ų73.541%0.40547%0.47SS..Hα-helixtrans-69.1-42.3171.1-65.3165.9000109.4L62 S68 G69 V71L62-I66 HydrophobicContact CD2-CD1 4.43Å; L62-I66 HydrophobicContact CG-CD1 4.08Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 PolarHBondContact O-N 2.68Å; I66-S68 VanDerWaalsContact C-N 3.3Å; I66-S68 PolarHBondContact O-N 3.35Å; I66-G69 PolarHBondContact O-N 3.1Å; I66-G69 VanDerWaalsContact O-N 3.09Å; I66-V71 HydrophobicContact CG1-CB 4.44Å
67A46.2Very low42.6Very low87 Ų8779.8 Ų79.872%0.71949%0.487SS*.Hα-helixtrans-66-30177.600000113.2E63 G69E63-A67 WeakPolarHBondContact O-CB 3.49Å; E63-A67 PolarHBondContact O-N 2.98Å; A67-G69 PolarHBondContact O-N 3.11Å
68S46.6Very low43.1Very low77 Ų7782.6 Ų82.654%0.53850%0.503SS..THydrogen-bonded Turntrans-75.5-9.9174.371.60000113.2S64 L65 I66 A70S64-S68 WeakPolarHBondContact O-CB 3.4Å; S64-S68 PolarHBondContact O-N 3.1Å; S64-S68 PolarHBondContact O-OG 3.05Å; L65-S68 PolarHBondContact O-OG 2.9Å; I66-S68 VanDerWaalsContact C-N 3.3Å; I66-S68 PolarHBondContact O-N 3.35Å; S68-A70 PolarHBondContact O-N 3.11Å
69G42.1Very low43.5Very low44 Ų4477 Ų7745%0.45449%0.487SS..THydrogen-bonded Turntrans76.53.5-17800000114.1L65 I66 A67 V71L65-G69 PolarHBondContact O-N 3.49Å; I66-G69 PolarHBondContact O-N 3.1Å; I66-G69 VanDerWaalsContact O-N 3.09Å; A67-G69 PolarHBondContact O-N 3.11Å; G69-V71 PolarHBondContact O-N 3.46Å
70A38.5Very low43.4Very low52 Ų5275.1 Ų75.143%0.4348%0.475SS..SBendtrans-69-23.6176.700000112.6L65 S68L65-A70 PolarHBondContact O-N 2.85Å; S68-A70 PolarHBondContact O-N 3.11Å
71V40.2Very low43.3Very low7 Ų781.3 Ų81.34%0.04250%0.499CS..SBendtrans-126.7114.4178-169.40000108.7L65 I66 G69 L83 F85L65-V71 HydrophobicContact CB-CG2 4.13Å; L65-V71 PolarHBondContact O-N 3.15Å; I66-V71 HydrophobicContact CG1-CB 4.44Å; G69-V71 PolarHBondContact O-N 3.46Å; V71-L83 HydrophobicContact CG1-CB 4.04Å; V71-L83 HydrophobicContact CG1-CD2 3.9Å; V71-L83 HydrophobicContact CG1-CG 4.41Å; V71-F85 HydrophobicContact CB-CD1 4.44Å; V71-F85 HydrophobicContact CB-CE1 4.42Å; V71-F85 HydrophobicContact CG1-CD1 4.21Å; V71-F85 HydrophobicContact CG1-CE1 4Å; V71-F85 HydrophobicContact CG1-CZ 4.43Å; V71-F85 HydrophobicContact CG2-CD1 3.73Å; V71-F85 HydrophobicContact CG2-CE1 3.59Å
72T46.8Very low42.9Very low52 Ų5281.1 Ų81.132%0.31949%0.491SS..EExtended strand (participates in β ladder)trans-102.3123.6176.551.90000110.2Q84 T86T72-Q84 PolarHBondContact N-O 2.84Å; T72-Q84 CarbonylContact O-C 3.51Å; T72-Q84 WeakPolarHBondContact O-CA 3.22Å; T72-Q84 PolarHBondContact O-N 2.08Å; T72-Q84 VanDerWaalsContact O-O 3.07Å; T72-Q84 PolarHBondContact OG1-O 3Å; T72-T86 PolarHBondContact OG1-OG1 3.18Å
73A43.3Very low43Very low60 Ų6079 Ų7950%0.49648%0.48SS..EExtended strand (participates in β ladder)trans-81.1123.1170.800000109.6Y82 L83A73-Y82 CarbonylContact C-O 3.46Å; A73-Y82 WeakPolarHBondContact CA-O 3.09Å; A73-L83 HydrophobicContact CB-CD2 4.07Å
74I48Very low42.6Very low78 Ų7874 Ų7440%0.446%0.456SS..EExtended strand (participates in β ladder)trans-112.3121.4174.1-59.6-168.4000109.1Y82 Q84I74-Y82 PolarHBondContact N-O 3.05Å; I74-Y82 PolarHBondContact O-N 3.28Å; I74-Q84 HydrophobicContact CD1-CB 3.96Å; I74-Q84 HydrophobicContact CD1-CG 4.35Å; I74-Q84 HydrophobicContact CG1-CB 4.09Å
75A47Very low42.5Very low64 Ų6476.3 Ų76.353%0.52946%0.46SS..EExtended strand (participates in β ladder)trans-77.5119.6167.600000109.6E81A75-E81 HydrophobicContact CB-CG 4.14Å
76A37.5Very low42.5Very low36 Ų3675.5 Ų75.530%0.29846%0.458SS..  trans-71.2164.1168.500000111.1N78 G79 T80 Y82A76-N78 PolarHBondContact O-N 3Å; A76-G79 PolarHBondContact O-N 3.18Å; A76-T80 PolarHBondContact N-O 2.86Å; A76-Y82 HydrophobicContact CB-CD2 3.88Å; A76-Y82 HydrophobicContact CB-CE2 3.35Å
77E43.1Very low42.1Very low203 Ų20377 Ų7795%0.94947%0.467SS*.THydrogen-bonded Turntrans-57.4-23.5-179.1-61.8-174.3164.700113.4G79E77-G79 VanDerWaalsContact C-N 3.25Å; E77-G79 PolarHBondContact O-N 2.87Å
78N43.1Very low41.7Very low151 Ų15178.8 Ų78.881%0.80747%0.471SS*.THydrogen-bonded Turntrans-82.82.3176.7-63.5-8.3000113.5A76 T80A76-N78 PolarHBondContact O-N 3Å; N78-T80 VanDerWaalsContact C-N 3.3Å; N78-T80 PolarHBondContact O-N 2.87Å
79G44.9Very low41.2Very low60 Ų6078.4 Ų78.462%0.61948%0.479SS*.SBendtrans79.46.4-17900000114.7A76 E77A76-G79 PolarHBondContact O-N 3.18Å; E77-G79 VanDerWaalsContact C-N 3.25Å; E77-G79 PolarHBondContact O-N 2.87Å
80T36.9Very low40.5Very low67 Ų6783.2 Ų83.241%0.41149%0.492SS..  trans-84.2130.2171.343.90000109.9A76 N78 Y82A76-T80 PolarHBondContact N-O 2.86Å; N78-T80 VanDerWaalsContact C-N 3.3Å; N78-T80 PolarHBondContact O-N 2.87Å; T80-Y82 WeakPolarHBondContact O-CD2 3.32Å; T80-Y82 VanDerWaalsContact O-CE2 3.26Å; T80-Y82 WeakPolarHBondContact O-CE2 3.46Å; T80-Y82 VanDerWaalsContact OG1-CE2 3.27Å; T80-Y82 WeakPolarHBondContact OG1-CE2 3.46Å; T80-Y82 PolarHBondContact OG1-OH 3.16Å; T80-Y82 VanDerWaalsContact OG1-OH 3.08Å
81E39.3Very low40.1Very low157 Ų15790.7 Ų90.773%0.73452%0.518SS*.EExtended strand (participates in β ladder)trans-95.7126.4-177.8-62-175.5177.900110.4A75A75-E81 HydrophobicContact CB-CG 4.14Å
82Y36.6Very low39.4Very low70 Ų7093.1 Ų93.128%0.27554%0.544SS..EExtended strand (participates in β ladder)trans-112.5140.1-178.9-60.3-94000109.5A73 I74 A76 T80 Q84 E97A73-Y82 CarbonylContact C-O 3.46Å; A73-Y82 WeakPolarHBondContact CA-O 3.09Å; I74-Y82 PolarHBondContact N-O 3.05Å; I74-Y82 PolarHBondContact O-N 3.28Å; A76-Y82 HydrophobicContact CB-CD2 3.88Å; A76-Y82 HydrophobicContact CB-CE2 3.35Å; T80-Y82 WeakPolarHBondContact O-CD2 3.32Å; T80-Y82 VanDerWaalsContact O-CE2 3.26Å; T80-Y82 WeakPolarHBondContact O-CE2 3.46Å; T80-Y82 VanDerWaalsContact OG1-CE2 3.27Å; T80-Y82 WeakPolarHBondContact OG1-CE2 3.46Å; T80-Y82 PolarHBondContact OG1-OH 3.16Å; T80-Y82 VanDerWaalsContact OG1-OH 3.08Å; Y82-Q84 PolarHBondContact O-N 3.12Å; Y82-E97 HydrophobicContact CD1-CG 4.3Å; Y82-E97 HydrophobicContact CE1-CB 4.38Å; Y82-E97 HydrophobicContact CE1-CG 3.99Å
83L43.8Very low38.7Very low44 Ų4493.2 Ų93.223%0.2355%0.55CS..EExtended strand (participates in β ladder)trans-87.5103.6171.7-65.9172.4000108.8V71 A73 M103V71-L83 HydrophobicContact CG1-CB 4.04Å; V71-L83 HydrophobicContact CG1-CD2 3.9Å; V71-L83 HydrophobicContact CG1-CG 4.41Å; A73-L83 HydrophobicContact CB-CD2 4.07Å; L83-M103 HydrophobicContact CD1-CE 3.58Å; L83-M103 HydrophobicContact CG-CE 4.45Å
84Q39Very low38Very low54 Ų5497.8 Ų97.825%0.25256%0.561SS.*EExtended strand (participates in β ladder)trans-89.2111.1172.1-153.4-166.116.900109.5T72 I74 Y82 T86T72-Q84 PolarHBondContact N-O 2.84Å; T72-Q84 CarbonylContact O-C 3.51Å; T72-Q84 WeakPolarHBondContact O-CA 3.22Å; T72-Q84 PolarHBondContact O-N 2.08Å; T72-Q84 VanDerWaalsContact O-O 3.07Å; T72-Q84 PolarHBondContact OG1-O 3Å; I74-Q84 HydrophobicContact CD1-CB 3.96Å; I74-Q84 HydrophobicContact CD1-CG 4.35Å; I74-Q84 HydrophobicContact CG1-CB 4.09Å; Y82-Q84 PolarHBondContact O-N 3.12Å; Q84-T86 HydrophobicContact CG-CG2 3.67Å; Q84-T86 PolarHBondContact O-N 2.87Å
85F44.4Very low37.1Very low100 Ų10097.6 Ų97.644%0.43956%0.563SS.*  trans-76.8101.4164-55.6-89000106.7L53 V71L53-F85 HydrophobicContact CD1-CE1 4.42Å; L53-F85 HydrophobicContact CD1-CZ 3.82Å; V71-F85 HydrophobicContact CB-CD1 4.44Å; V71-F85 HydrophobicContact CB-CE1 4.42Å; V71-F85 HydrophobicContact CG1-CD1 4.21Å; V71-F85 HydrophobicContact CG1-CE1 4Å; V71-F85 HydrophobicContact CG1-CZ 4.43Å; V71-F85 HydrophobicContact CG2-CD1 3.73Å; V71-F85 HydrophobicContact CG2-CE1 3.59Å
86T40.3Very low36.5Very low43 Ų4397.9 Ų97.926%0.26456%0.555SS.*  trans-120129.3177.737.70000112.7T72 Q84T72-T86 PolarHBondContact OG1-OG1 3.18Å; Q84-T86 HydrophobicContact CG-CG2 3.67Å; Q84-T86 PolarHBondContact O-N 2.87Å
87D37.3Very low36Very low111 Ų111103 Ų10359%0.59457%0.573SS**  trans-104.2124.9135.7-146.2-8.7000106.5G89D87-G89 PolarHBondContact O-N 3.04Å
88P36.3Very low35.5Very low124 Ų12496.5 Ų96.581%0.80554%0.544SS*.THydrogen-bonded Turntrans-68.93.8-166.4-1931.3000116.4
89G36.6Very low34.9Very low70 Ų7092.5 Ų92.572%0.72253%0.527SS*.THydrogen-bonded Turntrans-101.5-7.6-169.500000116.5D87D87-G89 PolarHBondContact O-N 3.04Å
90M28.2Very low34.5Very low145 Ų14592.8 Ų92.871%0.71452%0.523SS*.  trans-110.7108.5-175.2-67.9-73-80.200110.6G92M90-G92 PolarHBondContact O-N 3.41Å
91E28.7Very low34.6Very low209 Ų20995.1 Ų95.198%0.97753%0.533SS*.THydrogen-bonded Turntrans-55.2107.6163.9-74.2-177.9154.400108.5
92G27Very low34.3Very low57 Ų5791.7 Ų91.759%0.58852%0.517SS*.THydrogen-bonded Turntrans132.99.3175.800000116.4M90 Q94M90-G92 PolarHBondContact O-N 3.41Å; G92-Q94 PolarHBondContact O-N 3.35Å
93A32.2Very low34.4Very low54 Ų5492.3 Ų92.345%0.44652%0.524SS..  trans-55.3100.1168.800000110V95A93-V95 PolarHBondContact O-N 3.46Å
94Q28.1Very low34.3Very low157 Ų15796.5 Ų96.573%0.73454%0.542SS*.  trans-73.4115.9174.8-73.1-173.55.200107.9G92 I96G92-Q94 PolarHBondContact O-N 3.35Å; Q94-I96 PolarHBondContact O-N 2.98Å
95V28.5Very low34.7Very low74 Ų7499.6 Ų99.645%0.44856%0.56SS.*  trans-73.6114.9174.41800000107A93 E97A93-V95 PolarHBondContact O-N 3.46Å; V95-E97 PolarHBondContact O-N 2.86Å
96I35.7Very low34.4Very low70 Ų70101.4 Ų101.436%0.35956%0.564SS.*  trans-86.6107.2174.8-56.9175.6000107.3Q94 L98Q94-I96 PolarHBondContact O-N 2.98Å; I96-L98 HydrophobicContact CG2-CD1 4.17Å; I96-L98 HydrophobicContact CG2-CG 4.11Å; I96-L98 PolarHBondContact O-N 2.94Å
97E26.8Very low34.3Very low143 Ų143101.6 Ų101.667%0.66856%0.563SS**  trans-78.9106.2177.1-60-174.9172.600109.7Y82 V95Y82-E97 HydrophobicContact CD1-CG 4.3Å; Y82-E97 HydrophobicContact CE1-CB 4.38Å; Y82-E97 HydrophobicContact CE1-CG 3.99Å; V95-E97 PolarHBondContact O-N 2.86Å
98L31.5Very low34.3Very low66 Ų6699.9 Ų99.935%0.34656%0.558SS.*  trans-119116.4172.3-74.5165.8000109.8I96I96-L98 HydrophobicContact CG2-CD1 4.17Å; I96-L98 HydrophobicContact CG2-CG 4.11Å; I96-L98 PolarHBondContact O-N 2.94Å
99P30.8Very low34.7Very low68 Ų68101.4 Ų101.444%0.44256%0.56SS.*  trans-69.8150.117731.3-35.9000111.6D101 Q102P99-D101 WeakPolarHBondContact CB-OD1 3.44Å; P99-D101 WeakPolarHBondContact CG-OD1 3.46Å; P99-D101 PolarHBondContact O-N 3.47Å; P99-D101 VanDerWaalsContact O-N 3.11Å; P99-Q102 HydrophobicContact CG-CG 4.22Å; P99-Q102 PolarHBondContact O-N 3.39Å
100A36.6Very low35.6Very low66 Ų66100.5 Ų100.555%0.54554%0.542SS..THydrogen-bonded Turntrans-63.1-20.3-169.100000114.6Q102 M103A100-Q102 VanDerWaalsContact C-N 3.31Å; A100-M103 PolarHBondContact O-N 3.23Å
101D38.5Very low36.3Very low116 Ų116101.6 Ų101.662%0.6254%0.543SS*.THydrogen-bonded Turntrans-74.7-18.9174.558.3-28.8000113.4P99P99-D101 WeakPolarHBondContact CB-OD1 3.44Å; P99-D101 WeakPolarHBondContact CG-OD1 3.46Å; P99-D101 PolarHBondContact O-N 3.47Å; P99-D101 VanDerWaalsContact O-N 3.11Å
102Q33Very low36.6Very low85 Ų8593.2 Ų93.240%0.39751%0.509SS..SBendtrans-91.2-6.7172.6-68.6-174.9-37.700113.3E50 P99 A100 Q104E50-Q102 PolarHBondContact OE1-NE2 2.78Å; P99-Q102 HydrophobicContact CG-CG 4.22Å; P99-Q102 PolarHBondContact O-N 3.39Å; A100-Q102 VanDerWaalsContact C-N 3.31Å; Q102-Q104 PolarHBondContact O-N 3.41Å
103M40Very low37.3Very low82 Ų8297.8 Ų97.840%0.40451%0.51SS..  trans-82.3108.5175.1-78.1-174.3154.400111L83 A100 A116L83-M103 HydrophobicContact CD1-CE 3.58Å; L83-M103 HydrophobicContact CG-CE 4.45Å; A100-M103 PolarHBondContact O-N 3.23Å; M103-A116 HydrophobicContact CB-CB 4.47Å
104Q41.9Very low37.9Very low133 Ų133101.1 Ų101.162%0.62151%0.512SS*.EExtended strand (participates in β ladder)trans-113123172.9-65.2-176.213.100110.8Q102 Y113Q102-Q104 PolarHBondContact O-N 3.41Å; Q104-Y113 HydrophobicContact CB-CD1 4.2Å
105L46.1Very low38.4Very low118 Ų11898.2 Ų98.262%0.61850%0.501SS*.EExtended strand (participates in β ladder)trans-95.3123.5179-160.577.7000109.7Y113 Y114L105-Y113 WeakPolarHBondContact O-CA 3.48Å; L105-Y114 PolarHBondContact N-O 3.36Å; L105-Y114 PolarHBondContact O-N 3.27Å
106W37.8Very low39Very low138 Ų13897.3 Ų97.352%0.52350%0.502SS..EExtended strand (participates in β ladder)trans-89.9122.2176.6-176.774.1000111P108 Y113W106-P108 HydrophobicContact CE3-CG 4.06Å; W106-P108 HydrophobicContact CH2-CB 3.96Å; W106-P108 HydrophobicContact CH2-CG 4.26Å; W106-P108 HydrophobicContact CZ3-CB 3.88Å; W106-P108 HydrophobicContact CZ3-CG 3.66Å; W106-Y113 HydrophobicContact CB-CD1 4.09Å; W106-Y113 HydrophobicContact CB-CE1 3.84Å; W106-Y113 AromaticContact CD1-CE1 3.7Å; W106-Y113 AromaticContact CD1-CE2 3.87Å; W106-Y113 AromaticContact CD1-CZ 3.55Å; W106-Y113 HydrophobicContact CG-CE1 4.1Å
107D37.8Very low39.1Very low47 Ų4797.8 Ų97.825%0.25151%0.511SS..EExtended strand (participates in β ladder)trans-98.6117.9173.7171.217.6000111N109 S110 K111 A112 Y114D107-N109 PolarHBondContact O-N 3.28Å; D107-N109 PolarHBondContact OD1-N 3.31Å; D107-S110 VanDerWaalsContact CB-OG 3.31Å; D107-S110 WeakPolarHBondContact CB-OG 3.32Å; D107-S110 VanDerWaalsContact CG-OG 3.22Å; D107-S110 VanDerWaalsContact OD2-CB 3.3Å; D107-S110 WeakPolarHBondContact OD2-CB 3.02Å; D107-S110 PolarHBondContact OD2-N 2.83Å; D107-S110 PolarHBondContact OD2-OG 3.4Å; D107-K111 VanDerWaalsContact O-CA 3.29Å; D107-K111 WeakPolarHBondContact O-CA 3.37Å; D107-K111 PolarHBondContact O-N 3.29Å; D107-A112 PolarHBondContact N-O 2.77Å; D107-A112 VanDerWaalsContact N-O 3.14Å; D107-Y114 HydrophobicContact CB-CD2 4.25Å; D107-Y114 HydrophobicContact CB-CE2 3.85Å
108P37.3Very low39.4Very low76 Ų7694.2 Ų94.249%0.49451%0.513SS..THydrogen-bonded Turntrans-60.2-28.5179.8-19.227.8000114.2W106W106-P108 HydrophobicContact CE3-CG 4.06Å; W106-P108 HydrophobicContact CH2-CB 3.96Å; W106-P108 HydrophobicContact CH2-CG 4.26Å; W106-P108 HydrophobicContact CZ3-CB 3.88Å; W106-P108 HydrophobicContact CZ3-CG 3.66Å
109N45.8Very low39.4Very low156 Ų15698.6 Ų98.683%0.83454%0.535SS*.THydrogen-bonded Turntrans-85.4-38.1-172.6-71.2-29.2000112.5D107D107-N109 PolarHBondContact O-N 3.28Å; D107-N109 PolarHBondContact OD1-N 3.31Å
110S56.1Low39.2Very low50 Ų5098 Ų9835%0.3554%0.541SS..THydrogen-bonded Turntrans-89.7-15.2174.760.80000113D107 A112D107-S110 VanDerWaalsContact CB-OG 3.31Å; D107-S110 WeakPolarHBondContact CB-OG 3.32Å; D107-S110 VanDerWaalsContact CG-OG 3.22Å; D107-S110 VanDerWaalsContact OD2-CB 3.3Å; D107-S110 WeakPolarHBondContact OD2-CB 3.02Å; D107-S110 PolarHBondContact OD2-N 2.83Å; D107-S110 PolarHBondContact OD2-OG 3.4Å; S110-A112 PolarHBondContact O-N 2.87Å; S110-A112 PolarHBondContact OG-N 3.2Å
111K42.3Very low39Very low169 Ų169101.8 Ų101.874%0.73556%0.56SS**THydrogen-bonded Turntrans49.334.5-168.8-63.8-176.9176.4-177.40111.7D107D107-K111 VanDerWaalsContact O-CA 3.29Å; D107-K111 WeakPolarHBondContact O-CA 3.37Å; D107-K111 PolarHBondContact O-N 3.29Å
112A34.2Very low38.4Very low33 Ų3399.2 Ų99.227%0.27356%0.561SS.*EExtended strand (participates in β ladder)trans-118.9144.5-17900000110.1D107 S110 Y114D107-A112 PolarHBondContact N-O 2.77Å; D107-A112 VanDerWaalsContact N-O 3.14Å; S110-A112 PolarHBondContact O-N 2.87Å; S110-A112 PolarHBondContact OG-N 3.2Å; A112-Y114 HydrophobicContact CB-CE2 4.44Å
113Y43.4Very low37.9Very low152 Ų152104.6 Ų104.660%0.59658%0.583SS**EExtended strand (participates in β ladder)trans-88.8127.4170.4-67.6-88.6000108.4Q104 L105 W106Q104-Y113 HydrophobicContact CB-CD1 4.2Å; L105-Y113 WeakPolarHBondContact O-CA 3.48Å; W106-Y113 HydrophobicContact CB-CD1 4.09Å; W106-Y113 HydrophobicContact CB-CE1 3.84Å; W106-Y113 AromaticContact CD1-CE1 3.7Å; W106-Y113 AromaticContact CD1-CE2 3.87Å; W106-Y113 AromaticContact CD1-CZ 3.55Å; W106-Y113 HydrophobicContact CG-CE1 4.1Å
114Y43.6Very low37.3Very low124 Ų124107 Ų10749%0.48660%0.602SS.*EExtended strand (participates in β ladder)trans-104.1134.1173.6-65.3-78.6000109.7L105 D107 A112L105-Y114 PolarHBondContact N-O 3.36Å; L105-Y114 PolarHBondContact O-N 3.27Å; D107-Y114 HydrophobicContact CB-CD2 4.25Å; D107-Y114 HydrophobicContact CB-CE2 3.85Å; A112-Y114 HydrophobicContact CB-CE2 4.44Å
115D37.8Very low36.5Very low97 Ų97104.4 Ų104.452%0.51960%0.604SS.*EExtended strand (participates in β ladder)trans-75.5146.9167.3109.8-19.3000109.3S117D115-S117 VanDerWaalsContact CG-CB 3.48Å; D115-S117 PolarHBondContact O-N 3.29Å; D115-S117 WeakPolarHBondContact OD1-CA 3.17Å; D115-S117 WeakPolarHBondContact OD1-CB 2.98Å; D115-S117 PolarHBondContact OD1-N 3.48Å; D115-S117 PolarHBondContact OD1-OG 3.2Å; D115-S117 WeakPolarHBondContact OD2-CB 3.2Å; D115-S117 PolarHBondContact OD2-OG 2.89Å
116A43Very low35.4Very low55 Ų55107.1 Ų107.146%0.45562%0.618SS.*G310 helixtrans-76-1.9178.600000113.5M103 G118M103-A116 HydrophobicContact CB-CB 4.47Å; A116-G118 VanDerWaalsContact C-N 3.25Å; A116-G118 PolarHBondContact O-N 2.85Å
117S36.5Very low34.7Very low80 Ų80105.4 Ų105.456%0.55963%0.633SS**G310 helixtrans-76.6-5.4-171.9-42.80000114.1D115D115-S117 VanDerWaalsContact CG-CB 3.48Å; D115-S117 PolarHBondContact O-N 3.29Å; D115-S117 WeakPolarHBondContact OD1-CA 3.17Å; D115-S117 WeakPolarHBondContact OD1-CB 2.98Å; D115-S117 PolarHBondContact OD1-N 3.48Å; D115-S117 PolarHBondContact OD1-OG 3.2Å; D115-S117 WeakPolarHBondContact OD2-CB 3.2Å; D115-S117 PolarHBondContact OD2-OG 2.89Å
118G32.5Very low34.2Very low68 Ų68106.6 Ų106.670%0.70166%0.657SS**G310 helixtrans-85.5-7.9-17800000116.2A116A116-G118 VanDerWaalsContact C-N 3.25Å; A116-G118 PolarHBondContact O-N 2.85Å
119I32.9Very low33.7Very low157 Ų157112.7 Ų112.781%0.80568%0.679SS**  trans-116.286.6-175.7-53-179.7000108.9
120G26.6Very low32.9Very low56 Ų56110.3 Ų110.358%0.57767%0.674SS**  trans-58.9158.1168.600000112.4G122G120-G122 PolarHBondContact O-N 3.36Å; G120-G122 VanDerWaalsContact O-N 3.13Å
121P31.6Very low32.2Very low146 Ų146113.7 Ų113.795%0.94870%0.698SS**SBendtrans-76.9107-159.431.4-33.5000110.5
122G25.6Very low32.6Very low62 Ų62108.7 Ų108.764%0.63969%0.694SS**  trans-155.563.8-174.300000112.4G120 V124G120-G122 PolarHBondContact O-N 3.36Å; G120-G122 VanDerWaalsContact O-N 3.13Å; G122-V124 PolarHBondContact O-N 3.45Å
123F23.6Very low33.6Very low197 Ų197111 Ų11186%0.86471%0.705SS**  trans19102.9147-115.4-97.7000116.6A125F123-A125 HydrophobicContact CD1-CB 4.41Å
124V26.7Very low34.8Very low132 Ų132108.9 Ų108.980%0.871%0.708SS**  trans-116.398.6149.1-1790000107.4G122 L126G122-V124 PolarHBondContact O-N 3.45Å; V124-L126 PolarHBondContact O-N 3.11Å; V124-L126 VanDerWaalsContact O-N 3.09Å
125A24.5Very low36Very low80 Ų80104.4 Ų104.466%0.66169%0.69SS**  trans-61.1108.1173.300000109.8F123 A127F123-A125 HydrophobicContact CD1-CB 4.41Å; A125-A127 PolarHBondContact O-N 3.47Å
126L24.5Very low37.8Very low174 Ų174108.9 Ų108.991%0.91170%0.7SS**  trans-75.396170-133.890.5000108.7V124V124-L126 PolarHBondContact O-N 3.11Å; V124-L126 VanDerWaalsContact O-N 3.09Å
127A23.3Very low39.3Very low102 Ų102106.4 Ų106.484%0.84368%0.68SS**  trans-131.994.8163.700000108.3A125A125-A127 PolarHBondContact O-N 3.47Å
128G26.2Very low41.2Very low72 Ų72108 Ų10874%0.74269%0.688SS**  trans150.488.3171.500000113.3S130G128-S130 PolarHBondContact O-N 2.74Å
129Q26.5Very low43.2Very low204 Ų204108.6 Ų108.695%0.95368%0.681SS**  trans-51.7122.1165.9-72157.5-28.300110.9
130S30.5Very low45.2Very low106 Ų106102.8 Ų102.874%0.74165%0.654SS**  trans-150.5113.2148.261.10000107.7G128 G132G128-S130 PolarHBondContact O-N 2.74Å; S130-G132 PolarHBondContact O-N 3.23Å
131S40.3Very low47.6Very low121 Ų121106 Ų10685%0.84667%0.665SS**  trans-39.9106169.3-50.80000110.1V133S131-V133 PolarHBondContact O-N 3.2Å
132G50.4Low49.9Very low64 Ų64100.4 Ų100.466%0.6663%0.631SS**  trans-73.393.2-172.800000110.8S130 T134S130-G132 PolarHBondContact O-N 3.23Å; G132-T134 PolarHBondContact O-N 3.24Å
133V55.5Low52.2Low83 Ų83103.8 Ų103.850%0.50363%0.632SS.*  trans-62.7120.1167.1-179.90000107.9S131 Y135S131-V133 PolarHBondContact O-N 3.2Å; V133-Y135 HydrophobicContact CB-CE2 4.36Å; V133-Y135 HydrophobicContact CG1-CE1 4.28Å; V133-Y135 HydrophobicContact CG1-CE2 4.45Å; V133-Y135 VanDerWaalsContact O-CD2 3.28Å; V133-Y135 WeakPolarHBondContact O-CD2 3.28Å; V133-Y135 WeakPolarHBondContact O-CE2 3.44Å
134T68.4Low54.9Low107 Ų10797.2 Ų97.266%0.65660%0.602SS**  trans-88130.8175.456.70000110.2G132G132-T134 PolarHBondContact O-N 3.24Å
135Y69.6Low57.2Low29 Ų2995.3 Ų95.311%0.11460%0.6CS.*EExtended strand (participates in β ladder)trans-103.5112.7-173.2-61.9-87.8000110.8V133 M143 Y144 A147 E169 F171V133-Y135 HydrophobicContact CB-CE2 4.36Å; V133-Y135 HydrophobicContact CG1-CE1 4.28Å; V133-Y135 HydrophobicContact CG1-CE2 4.45Å; V133-Y135 VanDerWaalsContact O-CD2 3.28Å; V133-Y135 WeakPolarHBondContact O-CD2 3.28Å; V133-Y135 WeakPolarHBondContact O-CE2 3.44Å; Y135-M143 CarbonylContact O-C 3.57Å; Y135-M143 WeakPolarHBondContact O-CA 3.45Å; Y135-Y144 WeakPolarHBondContact CB-O 3.26Å; Y135-Y144 WeakPolarHBondContact CD2-O 3.42Å; Y135-Y144 PolarHBondContact N-O 3.19Å; Y135-Y144 PolarHBondContact O-N 3.21Å; Y135-A147 HydrophobicContact CE1-CB 4.02Å; Y135-A147 HydrophobicContact CE2-CB 4.11Å; Y135-A147 VanDerWaalsContact CE2-N 3.31Å; Y135-E169 PolarHBondContact OH-OE2 2.88Å; Y135-E169 VanDerWaalsContact OH-OE2 3.13Å; Y135-F171 AromaticContact CD1-CE2 3.42Å; Y135-F171 HydrophobicContact CD1-CE2 3.42Å; Y135-F171 VanDerWaalsContact CD1-CE2 3.42Å; Y135-F171 AromaticContact CD1-CZ 3.64Å; Y135-F171 HydrophobicContact CD1-CZ 3.64Å; Y135-F171 AromaticContact CE1-CE2 3.52Å; Y135-F171 HydrophobicContact CE1-CE2 3.52Å; Y135-F171 AromaticContact CE1-CZ 3.66Å; Y135-F171 HydrophobicContact CE1-CZ 3.66Å
136R74.7Confident59.7Low191 Ų19195.8 Ų95.872%0.72159%0.591SS**EExtended strand (participates in β ladder)trans-97.9134.3179.8-170.5178.5-175.1-147.22.9111.5M143R136-M143 HydrophobicContact CB-CG 4.43Å; R136-M143 HydrophobicContact CG-CG 4.25Å
137C75.3Confident62.1Low4 Ų488.4 Ų88.43%0.02756%0.556CS.*  trans-75.1130.9173.8-175.70000112.1S139 C140 A142 F150 H153 M154 H158C137-S139 PolarHBondContact O-N 3.41Å; C137-S139 PolarHBondContact SG-N 3.38Å; C137-S139 VanDerWaalsContact SG-N 3.39Å; C137-C140 VanDerWaalsContact CB-SG 3.54Å; C137-C140 VanDerWaalsContact SG-SG 3.68Å; C137-A142 PolarHBondContact N-O 3.24Å; C137-A142 VanDerWaalsContact N-O 3.08Å; C137-F150 HydrophobicContact CB-CD2 4.48Å; C137-F150 HydrophobicContact CB-CE2 3.9Å; C137-H153 PolarHBondContact SG-NE2 3.07Å; C137-M154 VanDerWaalsContact SG-SD 3.68Å; C137-H158 PolarHBondContact SG-NE2 3.34Å; C137-H158 VanDerWaalsContact SG-NE2 3.42Å
138P75.2Confident64.8Low112 Ų11289.2 Ų89.273%0.72755%0.546SS*.SBendtrans-66.1-26.5174.8-20.531.9000113.5
139S75.8Confident67.4Low81 Ų8187.8 Ų87.857%0.56653%0.527SS*.SBendtrans-105.6-4.5-169.9-59.60000113.4C137 H158C137-S139 PolarHBondContact O-N 3.41Å; C137-S139 PolarHBondContact SG-N 3.38Å; C137-S139 VanDerWaalsContact SG-N 3.39Å; S139-H158 WeakPolarHBondContact CB-CE1 3.28Å; S139-H158 WeakPolarHBondContact CB-NE2 3.21Å
140C74.1Confident69.9Low35 Ų3578.5 Ų78.524%0.23648%0.483CS..SBendtrans-154.5164.5174.3800000112.6C137 A142 H153C137-C140 VanDerWaalsContact CB-SG 3.54Å; C137-C140 VanDerWaalsContact SG-SG 3.68Å; C140-A142 PolarHBondContact O-N 3.05Å; C140-A142 VanDerWaalsContact O-N 3.1Å; C140-A142 VanDerWaalsContact SG-CB 3.56Å; C140-H153 PolarHBondContact SG-CE1 3.13Å; C140-H153 PolarHBondContact SG-NE2 3.03Å
141P78.3Confident72.3Confident123 Ų12374.5 Ų74.580%0.79945%0.454SS*.SBendtrans-70.3-2.5-177.8-17.531.3000115.6
142A78.1Confident74.2Confident30 Ų3074.6 Ų74.625%0.24844%0.439CS..  trans-70137.5-17300000112.3C137 C140 Y144C137-A142 PolarHBondContact N-O 3.24Å; C137-A142 VanDerWaalsContact N-O 3.08Å; C140-A142 PolarHBondContact O-N 3.05Å; C140-A142 VanDerWaalsContact O-N 3.1Å; C140-A142 VanDerWaalsContact SG-CB 3.56Å; A142-Y144 HydrophobicContact CB-CE2 3.67Å; A142-Y144 WeakPolarHBondContact CB-OH 3.4Å
143M75.3Confident75.7Confident132 Ų13272.3 Ų72.365%0.6541%0.412SS*.EExtended strand (participates in β ladder)trans-118.2143.6172.8-62.7-171.2-66.300109.7Y135 R136Y135-M143 CarbonylContact O-C 3.57Å; Y135-M143 WeakPolarHBondContact O-CA 3.45Å; R136-M143 HydrophobicContact CB-CG 4.43Å; R136-M143 HydrophobicContact CG-CG 4.25Å
144Y79.4Confident77Confident60 Ų6069 Ų6924%0.23539%0.391CS..EExtended strand (participates in β ladder)trans-131.7135.4-176.3-60.5-78.3000109.9Y135 A142 N146 A149 F150 H153Y135-Y144 WeakPolarHBondContact CB-O 3.26Å; Y135-Y144 WeakPolarHBondContact CD2-O 3.42Å; Y135-Y144 PolarHBondContact N-O 3.19Å; Y135-Y144 PolarHBondContact O-N 3.21Å; A142-Y144 HydrophobicContact CB-CE2 3.67Å; A142-Y144 WeakPolarHBondContact CB-OH 3.4Å; Y144-N146 PolarHBondContact O-N 3.32Å; Y144-A149 HydrophobicContact CD1-CB 3.81Å; Y144-A149 HydrophobicContact CG-CB 4.24Å; Y144-F150 HydrophobicContact CD2-CB 4.02Å; Y144-F150 AromaticContact CD2-CD2 4Å; Y144-F150 HydrophobicContact CD2-CD2 4Å; Y144-F150 HydrophobicContact CE2-CD2 4.35Å; Y144-F150 HydrophobicContact CG-CB 4.36Å; Y144-H153 HydrophobicContact CE1-CB 4.42Å; Y144-H153 HydrophobicContact CE2-CB 3.78Å; Y144-H153 AromaticContact CE2-CD2 3.89Å; Y144-H153 AromaticContact CE2-CG 3.68Å; Y144-H153 AromaticContact CZ-CG 3.67Å; Y144-H153 AromaticContact CZ-ND1 3.91Å; Y144-H153 WeakPolarHBondContact OH-CB 3.32Å; Y144-H153 PolarHBondContact OH-ND1 2.71Å
145A75.3Confident77.5Confident91 Ų9170.5 Ų70.575%0.75238%0.384SS*.SBendtrans-75.7-7.617500000113.6
146N76.3Confident77.9Confident90 Ų9074.4 Ų74.448%0.48140%0.404SS..SBendtrans-139.3132.6-173.4-173.5-19.5000111.8Y144 N148 A149 F150Y144-N146 PolarHBondContact O-N 3.32Å; N146-N148 PolarHBondContact O-N 3.44Å; N146-N148 PolarHBondContact OD1-N 3.42Å; N146-A149 WeakPolarHBondContact O-CB 3.11Å; N146-A149 PolarHBondContact O-N 3.34Å; N146-F150 PolarHBondContact O-N 3.03Å
147A76Confident78.1Confident20 Ų2072.5 Ų72.517%0.16540%0.401CS..Hα-helixtrans-53.6-35.1176.100000113.2Y135 F150 T151 F171Y135-A147 HydrophobicContact CE1-CB 4.02Å; Y135-A147 HydrophobicContact CE2-CB 4.11Å; Y135-A147 VanDerWaalsContact CE2-N 3.31Å; A147-F150 PolarHBondContact O-N 3.28Å; A147-T151 WeakPolarHBondContact O-CG2 3.33Å; A147-T151 PolarHBondContact O-N 3.35Å; A147-T151 PolarHBondContact O-OG1 3.46Å; A147-T151 VanDerWaalsContact O-OG1 3.14Å; A147-F171 HydrophobicContact CB-CZ 4.03Å
148N79.3Confident78.2Confident119 Ų11975 Ų7564%0.63641%0.412SS*.Hα-helixtrans-67.2-37.7178.5-75.517.1000112.1N146 T151 K152N146-N148 PolarHBondContact O-N 3.44Å; N146-N148 PolarHBondContact OD1-N 3.42Å; N148-T151 PolarHBondContact O-OG1 3.13Å; N148-K152 WeakPolarHBondContact O-CB 3.4Å; N148-K152 PolarHBondContact O-N 2.79Å; N148-K152 VanDerWaalsContact O-N 3.07Å
149A80.7Confident78.2Confident41 Ų4178.1 Ų78.134%0.33941%0.414SS..Hα-helixtrans-68.9-39.6176.300000111.2Y144 N146 K152 H153Y144-A149 HydrophobicContact CD1-CB 3.81Å; Y144-A149 HydrophobicContact CG-CB 4.24Å; N146-A149 WeakPolarHBondContact O-CB 3.11Å; N146-A149 PolarHBondContact O-N 3.34Å; A149-K152 PolarHBondContact O-N 3.22Å; A149-H153 WeakPolarHBondContact O-CB 3.35Å; A149-H153 PolarHBondContact O-N 3.35Å
150F79.8Confident78.1Confident10 Ų1076.5 Ų76.54%0.04440%0.401CS..Hα-helixtrans-64.6-45.8175175.1-111.7000113C137 Y144 N146 A147 K152 H153 M154 F171C137-F150 HydrophobicContact CB-CD2 4.48Å; C137-F150 HydrophobicContact CB-CE2 3.9Å; Y144-F150 HydrophobicContact CD2-CB 4.02Å; Y144-F150 AromaticContact CD2-CD2 4Å; Y144-F150 HydrophobicContact CD2-CD2 4Å; Y144-F150 HydrophobicContact CE2-CD2 4.35Å; Y144-F150 HydrophobicContact CG-CB 4.36Å; N146-F150 PolarHBondContact O-N 3.03Å; A147-F150 PolarHBondContact O-N 3.28Å; F150-K152 VanDerWaalsContact C-N 3.34Å; F150-K152 PolarHBondContact O-N 3.48Å; F150-H153 WeakPolarHBondContact O-CB 3.31Å; F150-H153 PolarHBondContact O-N 3.09Å; F150-M154 HydrophobicContact CD2-CG 4.21Å; F150-M154 HydrophobicContact CE1-CG 4.14Å; F150-M154 HydrophobicContact CE2-CG 3.58Å; F150-M154 HydrophobicContact CE2-SD 4.03Å; F150-M154 HydrophobicContact CZ-CE 4.36Å; F150-M154 HydrophobicContact CZ-CG 3.58Å; F150-M154 HydrophobicContact CZ-SD 4.05Å; F150-M154 WeakPolarHBondContact O-CG 3.48Å; F150-M154 PolarHBondContact O-N 3.19Å; F150-F171 AromaticContact CD1-CD1 3.7Å; F150-F171 HydrophobicContact CD1-CD1 3.7Å; F150-F171 HydrophobicContact CD1-CD2 4.28Å; F150-F171 AromaticContact CD1-CE1 3.4Å; F150-F171 HydrophobicContact CD1-CE1 3.4Å; F150-F171 VanDerWaalsContact CD1-CE1 3.4Å; F150-F171 HydrophobicContact CD1-CE2 4.06Å; F150-F171 HydrophobicContact CD1-CG 4.13Å; F150-F171 AromaticContact CD1-CZ 3.62Å; F150-F171 HydrophobicContact CD1-CZ 3.62Å; F150-F171 HydrophobicContact CE1-CB 4.23Å; F150-F171 AromaticContact CE1-CD1 3.51Å; F150-F171 HydrophobicContact CE1-CD1 3.51Å; F150-F171 AromaticContact CE1-CD2 3.95Å; F150-F171 HydrophobicContact CE1-CD2 3.95Å; F150-F171 AromaticContact CE1-CE1 3.76Å; F150-F171 HydrophobicContact CE1-CE1 3.76Å; F150-F171 HydrophobicContact CE1-CE2 4.2Å; F150-F171 AromaticContact CE1-CG 3.62Å; F150-F171 HydrophobicContact CE1-CG 3.62Å; F150-F171 HydrophobicContact CE1-CZ 4.12Å
151T80.3Confident78Confident22 Ų2278.6 Ų78.614%0.13541%0.406CS..Hα-helixtrans-64.8-36.8177.153.10000112.6A147 N148 R155 T164 F171A147-T151 WeakPolarHBondContact O-CG2 3.33Å; A147-T151 PolarHBondContact O-N 3.35Å; A147-T151 PolarHBondContact O-OG1 3.46Å; A147-T151 VanDerWaalsContact O-OG1 3.14Å; N148-T151 PolarHBondContact O-OG1 3.13Å; T151-R155 VanDerWaalsContact O-CG 3.32Å; T151-R155 WeakPolarHBondContact O-CG 3.2Å; T151-R155 PolarHBondContact O-N 3.37Å; T151-R155 VanDerWaalsContact O-N 3.13Å; T151-T164 HydrophobicContact CG2-CG2 4.41Å; T151-F171 HydrophobicContact CG2-CD1 4.28Å; T151-F171 HydrophobicContact CG2-CE1 3.75Å
152K79.9Confident77.9Confident122 Ų12273.1 Ų73.153%0.5337%0.37SS..Hα-helixtrans-61.5-48.7171.9-175.6-178.9176.9-174.50110.9N148 A149 F150 M154 R155 E156N148-K152 WeakPolarHBondContact O-CB 3.4Å; N148-K152 PolarHBondContact O-N 2.79Å; N148-K152 VanDerWaalsContact O-N 3.07Å; A149-K152 PolarHBondContact O-N 3.22Å; F150-K152 VanDerWaalsContact C-N 3.34Å; F150-K152 PolarHBondContact O-N 3.48Å; K152-M154 PolarHBondContact O-N 3.47Å; K152-R155 PolarHBondContact O-N 3.34Å; K152-E156 WeakPolarHBondContact CE-OE1 3.28Å; K152-E156 WeakPolarHBondContact CE-OE2 3.34Å; K152-E156 HydrophobicContact CG-CG 4.41Å; K152-E156 WeakPolarHBondContact CG-OE1 3.32Å; K152-E156 WeakPolarHBondContact O-CB 3.29Å; K152-E156 WeakPolarHBondContact O-CG 3.46Å; K152-E156 PolarHBondContact O-N 2.81Å
153H82.6Confident78Confident17 Ų1774.3 Ų74.38%0.07937%0.368CS..Hα-helixtrans-54.9-48.4175.9164.778.3000112.4C137 C140 Y144 A149 F150 R155 E156 K157 H158C137-H153 PolarHBondContact SG-NE2 3.07Å; C140-H153 PolarHBondContact SG-CE1 3.13Å; C140-H153 PolarHBondContact SG-NE2 3.03Å; Y144-H153 HydrophobicContact CE1-CB 4.42Å; Y144-H153 HydrophobicContact CE2-CB 3.78Å; Y144-H153 AromaticContact CE2-CD2 3.89Å; Y144-H153 AromaticContact CE2-CG 3.68Å; Y144-H153 AromaticContact CZ-CG 3.67Å; Y144-H153 AromaticContact CZ-ND1 3.91Å; Y144-H153 WeakPolarHBondContact OH-CB 3.32Å; Y144-H153 PolarHBondContact OH-ND1 2.71Å; A149-H153 WeakPolarHBondContact O-CB 3.35Å; A149-H153 PolarHBondContact O-N 3.35Å; F150-H153 WeakPolarHBondContact O-CB 3.31Å; F150-H153 PolarHBondContact O-N 3.09Å; H153-R155 VanDerWaalsContact C-N 3.35Å; H153-R155 PolarHBondContact O-N 3.36Å; H153-E156 PolarHBondContact O-N 2.68Å; H153-K157 WeakPolarHBondContact O-CB 3.34Å; H153-K157 PolarHBondContact O-N 2.86Å; H153-H158 AromaticContact CE1-NE2 3.84Å; H153-H158 AromaticContact NE2-CD2 3.43Å; H153-H158 PolarHBondContact NE2-CD2 3.46Å; H153-H158 AromaticContact NE2-NE2 3.28Å; H153-H158 PolarHBondContact NE2-NE2 2.94Å
154M81.8Confident78Confident12 Ų1271.1 Ų71.16%0.05936%0.356CS..Hα-helixtrans-66.1-34.8-178.8-71.4-74.1-80.900113.2C137 F150 K152 H158 F159 V160 V162C137-M154 VanDerWaalsContact SG-SD 3.68Å; F150-M154 HydrophobicContact CD2-CG 4.21Å; F150-M154 HydrophobicContact CE1-CG 4.14Å; F150-M154 HydrophobicContact CE2-CG 3.58Å; F150-M154 HydrophobicContact CE2-SD 4.03Å; F150-M154 HydrophobicContact CZ-CE 4.36Å; F150-M154 HydrophobicContact CZ-CG 3.58Å; F150-M154 HydrophobicContact CZ-SD 4.05Å; F150-M154 WeakPolarHBondContact O-CG 3.48Å; F150-M154 PolarHBondContact O-N 3.19Å; K152-M154 PolarHBondContact O-N 3.47Å; M154-H158 CarbonylContact O-C 3.32Å; M154-H158 WeakPolarHBondContact O-CB 3.37Å; M154-H158 PolarHBondContact O-N 3.36Å; M154-H158 HydrophobicContact SD-CB 4.29Å; M154-H158 PolarHBondContact SD-CD2 3.45Å; M154-F159 PolarHBondContact O-N 3.36Å; M154-V160 CarbonylContact C-O 3.59Å; M154-V160 HydrophobicContact CE-CB 4.39Å; M154-V160 PolarHBondContact O-N 3.41Å; M154-V162 HydrophobicContact CB-CG2 3.23Å; M154-V162 HydrophobicContact CE-CG2 3.78Å; M154-V162 HydrophobicContact CG-CG2 3.67Å
155R80Confident77.9Confident139 Ų13968.5 Ų68.553%0.52535%0.347SS..Hα-helixtrans-71.6-36.4176-71.4177-169-178.47112.9T151 K152 H153 F159T151-R155 VanDerWaalsContact O-CG 3.32Å; T151-R155 WeakPolarHBondContact O-CG 3.2Å; T151-R155 PolarHBondContact O-N 3.37Å; T151-R155 VanDerWaalsContact O-N 3.13Å; K152-R155 PolarHBondContact O-N 3.34Å; H153-R155 VanDerWaalsContact C-N 3.35Å; H153-R155 PolarHBondContact O-N 3.36Å; R155-F159 WeakPolarHBondContact O-CA 3.37Å
156E78.5Confident77.8Confident111 Ų11175.6 Ų75.652%0.51935%0.354SS..Hα-helixtrans-89.3-39.4-175.3-69.5176.3178.200113.4K152 H153K152-E156 WeakPolarHBondContact CE-OE1 3.28Å; K152-E156 WeakPolarHBondContact CE-OE2 3.34Å; K152-E156 HydrophobicContact CG-CG 4.41Å; K152-E156 WeakPolarHBondContact CG-OE1 3.32Å; K152-E156 WeakPolarHBondContact O-CB 3.29Å; K152-E156 WeakPolarHBondContact O-CG 3.46Å; K152-E156 PolarHBondContact O-N 2.81Å; H153-E156 PolarHBondContact O-N 2.68Å
157K78.3Confident77.2Confident152 Ų15277.7 Ų77.766%0.66136%0.361SS*.Hα-helixtrans-96.1-39.6-175.2-66.6-68.4-174.7178.50113.4H153H153-K157 WeakPolarHBondContact O-CB 3.34Å; H153-K157 PolarHBondContact O-N 2.86Å
158H78.2Confident77.2Confident56 Ų5679 Ų7926%0.25937%0.368SS..SBendtrans-100.4-9.1-179.9-63.7-63.9000113C137 S139 H153 M154 V160C137-H158 PolarHBondContact SG-NE2 3.34Å; C137-H158 VanDerWaalsContact SG-NE2 3.42Å; S139-H158 WeakPolarHBondContact CB-CE1 3.28Å; S139-H158 WeakPolarHBondContact CB-NE2 3.21Å; H153-H158 AromaticContact CE1-NE2 3.84Å; H153-H158 AromaticContact NE2-CD2 3.43Å; H153-H158 PolarHBondContact NE2-CD2 3.46Å; H153-H158 AromaticContact NE2-NE2 3.28Å; H153-H158 PolarHBondContact NE2-NE2 2.94Å; M154-H158 CarbonylContact O-C 3.32Å; M154-H158 WeakPolarHBondContact O-CB 3.37Å; M154-H158 PolarHBondContact O-N 3.36Å; M154-H158 HydrophobicContact SD-CB 4.29Å; M154-H158 PolarHBondContact SD-CD2 3.45Å; H158-V160 HydrophobicContact CB-CB 4.44Å; H158-V160 HydrophobicContact CB-CG2 4.04Å; H158-V160 WeakPolarHBondContact O-CG2 3.41Å; H158-V160 PolarHBondContact O-N 3.38Å; H158-V160 VanDerWaalsContact O-N 3.08Å
159F74.2Confident76.8Confident178 Ų17878.3 Ų78.378%0.78136%0.361SS*.  trans51.825.8-172.3-58.6-80.3000113.3M154 R155M154-F159 PolarHBondContact O-N 3.36Å; R155-F159 WeakPolarHBondContact O-CA 3.37Å
160V73.4Confident76.5Confident46 Ų4681 Ų8128%0.27937%0.367SS..  trans-98.5121.1178.2-179.80000108.4M154 H158 V162 E173M154-V160 CarbonylContact C-O 3.59Å; M154-V160 HydrophobicContact CE-CB 4.39Å; M154-V160 PolarHBondContact O-N 3.41Å; H158-V160 HydrophobicContact CB-CB 4.44Å; H158-V160 HydrophobicContact CB-CG2 4.04Å; H158-V160 WeakPolarHBondContact O-CG2 3.41Å; H158-V160 PolarHBondContact O-N 3.38Å; H158-V160 VanDerWaalsContact O-N 3.08Å; V160-V162 HydrophobicContact CG1-CG2 4.29Å; V160-V162 WeakPolarHBondContact O-CG2 3.49Å; V160-V162 PolarHBondContact O-N 2.9Å; V160-V162 VanDerWaalsContact O-N 3.11Å; V160-E173 HydrophobicContact CG1-CB 4.4Å; V160-E173 HydrophobicContact CG1-CG 4.45Å
161K72Confident76.1Confident80 Ų8083.1 Ų83.135%0.34838%0.376SS..  trans-76.898.9171-174.5172.5174.1-167.50108.5Y163K161-Y163 HydrophobicContact CB-CE2 4.44Å; K161-Y163 HydrophobicContact CD-CE1 4.28Å; K161-Y163 HydrophobicContact CD-CE2 4.36Å; K161-Y163 WeakPolarHBondContact CD-OH 3.45Å; K161-Y163 WeakPolarHBondContact CE-OH 3.43Å; K161-Y163 HydrophobicContact CG-CE1 4.36Å; K161-Y163 HydrophobicContact CG-CE2 4.02Å; K161-Y163 PolarHBondContact NZ-OH 2.95Å; K161-Y163 WeakPolarHBondContact O-CD2 3.43Å; K161-Y163 VanDerWaalsContact O-CE2 3.31Å; K161-Y163 WeakPolarHBondContact O-CE2 3.24Å
162V77.1Confident76.1Confident8 Ų883.6 Ų83.65%0.04838%0.376CS..  trans-84.5139.7178.1-153.50000110.5M154 V160 F171 F172M154-V162 HydrophobicContact CB-CG2 3.23Å; M154-V162 HydrophobicContact CE-CG2 3.78Å; M154-V162 HydrophobicContact CG-CG2 3.67Å; V160-V162 HydrophobicContact CG1-CG2 4.29Å; V160-V162 WeakPolarHBondContact O-CG2 3.49Å; V160-V162 PolarHBondContact O-N 2.9Å; V160-V162 VanDerWaalsContact O-N 3.11Å; V162-F171 HydrophobicContact CG1-CB 3.58Å; V162-F171 HydrophobicContact CG1-CD1 3.75Å; V162-F171 HydrophobicContact CG1-CG 4.12Å; V162-F172 CarbonylContact C-O 3.56Å; V162-F172 WeakPolarHBondContact CA-O 3.27Å
163Y79.7Confident75.7Confident54 Ų5484.1 Ų84.121%0.21238%0.381CS..EExtended strand (participates in β ladder)trans-116.2122.5178.5-62.2-87.2000109.5K161 F172 L175K161-Y163 HydrophobicContact CB-CE2 4.44Å; K161-Y163 HydrophobicContact CD-CE1 4.28Å; K161-Y163 HydrophobicContact CD-CE2 4.36Å; K161-Y163 WeakPolarHBondContact CD-OH 3.45Å; K161-Y163 WeakPolarHBondContact CE-OH 3.43Å; K161-Y163 HydrophobicContact CG-CE1 4.36Å; K161-Y163 HydrophobicContact CG-CE2 4.02Å; K161-Y163 PolarHBondContact NZ-OH 2.95Å; K161-Y163 WeakPolarHBondContact O-CD2 3.43Å; K161-Y163 VanDerWaalsContact O-CE2 3.31Å; K161-Y163 WeakPolarHBondContact O-CE2 3.24Å; Y163-F172 PolarHBondContact N-O 3.4Å; Y163-F172 PolarHBondContact O-N 3.3Å; Y163-L175 HydrophobicContact CD1-CB 4.4Å; Y163-L175 HydrophobicContact CD1-CD1 3.64Å; Y163-L175 HydrophobicContact CD2-CB 4.37Å; Y163-L175 HydrophobicContact CE1-CB 4.07Å; Y163-L175 HydrophobicContact CE1-CD1 3.74Å; Y163-L175 HydrophobicContact CE1-CG 4.37Å; Y163-L175 HydrophobicContact CE2-CB 4.05Å; Y163-L175 HydrophobicContact CG-CD1 4.25Å
164T75.7Confident75.5Confident65 Ų6586.1 Ų86.140%0.39939%0.394SS..EExtended strand (participates in β ladder)trans-88.8136.217742.70000111.4T151 E170 F171T151-T164 HydrophobicContact CG2-CG2 4.41Å; T164-E170 CarbonylContact C-O 3.53Å; T164-E170 WeakPolarHBondContact CA-O 3.23Å; T164-F171 HydrophobicContact CG2-CD1 3.25Å; T164-F171 HydrophobicContact CG2-CE1 2.97Å; T164-F171 HydrophobicContact CG2-CE2 4.41Å; T164-F171 HydrophobicContact CG2-CG 4.11Å; T164-F171 HydrophobicContact CG2-CZ 3.64Å
165C76.7Confident75.3Confident5 Ų589 Ų893%0.03441%0.41CS..  trans-75.6123.7162.8-175.40000109.5Q167 C168 E169 E170 F172 L178 H186C165-Q167 PolarHBondContact O-N 2.76Å; C165-C168 WeakPolarHBondContact CB-SG 3.42Å; C165-C168 VanDerWaalsContact SG-SG 3.67Å; C165-E169 WeakPolarHBondContact O-CA 3.31Å; C165-E169 PolarHBondContact O-N 2.9Å; C165-E170 PolarHBondContact N-O 2.81Å; C165-F172 HydrophobicContact CB-CE2 4.05Å; C165-L178 VanDerWaalsContact CA-CD1 3.4Å; C165-L178 HydrophobicContact CB-CD1 3.54Å; C165-H186 PolarHBondContact SG-CD2 3.45Å; C165-H186 PolarHBondContact SG-NE2 2.93Å
166R73.5Confident75.1Confident240 Ų24086.3 Ų86.391%0.90641%0.412SS*.THydrogen-bonded Turntrans-67.3-18.6-178.9-177171.8174.5146.11.6113.4
167Q64.3Low74.9Confident135 Ų13585 Ų8563%0.63141%0.406SS*.THydrogen-bonded Turntrans-101.2-24.1-171.8-65.4-171.924.600114.2C165 H186C165-Q167 PolarHBondContact O-N 2.76Å; Q167-H186 HydrophobicContact CB-CB 4.34Å; Q167-H186 WeakPolarHBondContact CB-CE1 3.49Å; Q167-H186 VanDerWaalsContact CB-CG 3.49Å; Q167-H186 WeakPolarHBondContact CB-ND1 3.42Å; Q167-H186 PolarHBondContact OE1-ND1 3.43Å
168C75.4Confident75Confident46 Ų4679 Ų7931%0.31138%0.381SS..THydrogen-bonded Turntrans-124.9-1.8173.563.60000113.8C165 E170 H181 H186C165-C168 WeakPolarHBondContact CB-SG 3.42Å; C165-C168 VanDerWaalsContact SG-SG 3.67Å; C168-E170 HydrophobicContact CB-CG 4.33Å; C168-E170 PolarHBondContact O-N 3.15Å; C168-E170 VanDerWaalsContact SG-CB 3.52Å; C168-E170 VanDerWaalsContact SG-CG 3.56Å; C168-E170 PolarHBondContact SG-N 3.06Å; C168-E170 VanDerWaalsContact SG-N 3.38Å; C168-H181 PolarHBondContact SG-CE1 3.49Å; C168-H181 PolarHBondContact SG-NE2 3.17Å; C168-H186 WeakPolarHBondContact CB-NE2 3.41Å; C168-H186 PolarHBondContact N-CE1 2.75Å; C168-H186 PolarHBondContact N-NE2 2.88Å; C168-H186 PolarHBondContact SG-NE2 3.1Å
169E70.6Confident75Confident105 Ų10582.8 Ų82.849%0.49140%0.397SS..  trans59.812.3-177.8-53.7-172.816100115.2Y135 C165 F171Y135-E169 PolarHBondContact OH-OE2 2.88Å; Y135-E169 VanDerWaalsContact OH-OE2 3.13Å; C165-E169 WeakPolarHBondContact O-CA 3.31Å; C165-E169 PolarHBondContact O-N 2.9Å; E169-F171 VanDerWaalsContact O-CD2 3.3Å; E169-F171 WeakPolarHBondContact O-CD2 3.21Å; E169-F171 WeakPolarHBondContact O-CE2 3.14Å
170E74.1Confident75Confident98 Ų9878 Ų7846%0.45838%0.379SS..  trans-66.6147.9171.2-70178.4-161.800112T164 C165 C168 F172 H181T164-E170 CarbonylContact C-O 3.53Å; T164-E170 WeakPolarHBondContact CA-O 3.23Å; C165-E170 PolarHBondContact N-O 2.81Å; C168-E170 HydrophobicContact CB-CG 4.33Å; C168-E170 PolarHBondContact O-N 3.15Å; C168-E170 VanDerWaalsContact SG-CB 3.52Å; C168-E170 VanDerWaalsContact SG-CG 3.56Å; C168-E170 PolarHBondContact SG-N 3.06Å; C168-E170 VanDerWaalsContact SG-N 3.38Å; E170-F172 HydrophobicContact CB-CE2 3.78Å; E170-F172 HydrophobicContact CB-CZ 3.74Å; E170-F172 WeakPolarHBondContact OE2-CZ 3.36Å; E170-H181 VanDerWaalsContact CD-CE1 3.45Å; E170-H181 IonicContact OE1-CE1 3.05Å; E170-H181 IonicContact OE2-CE1 3.98Å; E170-H181 PolarHBondContact OE2-CE1 2.9Å; E170-H181 IonicContact OE2-ND1 2.91Å; E170-H181 PolarHBondContact OE2-ND1 2.88Å; E170-H181 IonicContact OE2-NE2 3.18Å
171F72.4Confident75.3Confident55 Ų5576.5 Ų76.524%0.24137%0.369CS..EExtended strand (participates in β ladder)trans-108.9132.1-174.9-67.4-92.1000111.7Y135 A147 F150 T151 V162 T164 E169Y135-F171 AromaticContact CD1-CE2 3.42Å; Y135-F171 HydrophobicContact CD1-CE2 3.42Å; Y135-F171 VanDerWaalsContact CD1-CE2 3.42Å; Y135-F171 AromaticContact CD1-CZ 3.64Å; Y135-F171 HydrophobicContact CD1-CZ 3.64Å; Y135-F171 AromaticContact CE1-CE2 3.52Å; Y135-F171 HydrophobicContact CE1-CE2 3.52Å; Y135-F171 AromaticContact CE1-CZ 3.66Å; Y135-F171 HydrophobicContact CE1-CZ 3.66Å; A147-F171 HydrophobicContact CB-CZ 4.03Å; F150-F171 AromaticContact CD1-CD1 3.7Å; F150-F171 HydrophobicContact CD1-CD1 3.7Å; F150-F171 HydrophobicContact CD1-CD2 4.28Å; F150-F171 AromaticContact CD1-CE1 3.4Å; F150-F171 HydrophobicContact CD1-CE1 3.4Å; F150-F171 VanDerWaalsContact CD1-CE1 3.4Å; F150-F171 HydrophobicContact CD1-CE2 4.06Å; F150-F171 HydrophobicContact CD1-CG 4.13Å; F150-F171 AromaticContact CD1-CZ 3.62Å; F150-F171 HydrophobicContact CD1-CZ 3.62Å; F150-F171 HydrophobicContact CE1-CB 4.23Å; F150-F171 AromaticContact CE1-CD1 3.51Å; F150-F171 HydrophobicContact CE1-CD1 3.51Å; F150-F171 AromaticContact CE1-CD2 3.95Å; F150-F171 HydrophobicContact CE1-CD2 3.95Å; F150-F171 AromaticContact CE1-CE1 3.76Å; F150-F171 HydrophobicContact CE1-CE1 3.76Å; F150-F171 HydrophobicContact CE1-CE2 4.2Å; F150-F171 AromaticContact CE1-CG 3.62Å; F150-F171 HydrophobicContact CE1-CG 3.62Å; F150-F171 HydrophobicContact CE1-CZ 4.12Å; T151-F171 HydrophobicContact CG2-CD1 4.28Å; T151-F171 HydrophobicContact CG2-CE1 3.75Å; V162-F171 HydrophobicContact CG1-CB 3.58Å; V162-F171 HydrophobicContact CG1-CD1 3.75Å; V162-F171 HydrophobicContact CG1-CG 4.12Å; T164-F171 HydrophobicContact CG2-CD1 3.25Å; T164-F171 HydrophobicContact CG2-CE1 2.97Å; T164-F171 HydrophobicContact CG2-CE2 4.41Å; T164-F171 HydrophobicContact CG2-CG 4.11Å; T164-F171 HydrophobicContact CG2-CZ 3.64Å; E169-F171 VanDerWaalsContact O-CD2 3.3Å; E169-F171 WeakPolarHBondContact O-CD2 3.21Å; E169-F171 WeakPolarHBondContact O-CE2 3.14Å
172F80Confident75.4Confident31 Ų3174 Ų7414%0.13636%0.363CS..EExtended strand (participates in β ladder)trans-123143.8-179.3-58.5-79.6000111.9V162 Y163 C165 E170 Q177 L178 H181V162-F172 CarbonylContact C-O 3.56Å; V162-F172 WeakPolarHBondContact CA-O 3.27Å; Y163-F172 PolarHBondContact N-O 3.4Å; Y163-F172 PolarHBondContact O-N 3.3Å; C165-F172 HydrophobicContact CB-CE2 4.05Å; E170-F172 HydrophobicContact CB-CE2 3.78Å; E170-F172 HydrophobicContact CB-CZ 3.74Å; E170-F172 WeakPolarHBondContact OE2-CZ 3.36Å; F172-Q177 HydrophobicContact CB-CB 3.94Å; F172-Q177 HydrophobicContact CD1-CB 3.85Å; F172-Q177 HydrophobicContact CG-CB 4.18Å; F172-L178 HydrophobicContact CB-CB 4.08Å; F172-L178 HydrophobicContact CD2-CB 3.81Å; F172-L178 HydrophobicContact CD2-CD1 3.71Å; F172-L178 HydrophobicContact CD2-CG 4.37Å; F172-L178 HydrophobicContact CE2-CD1 3.99Å; F172-L178 HydrophobicContact CG-CB 4.11Å; F172-H181 HydrophobicContact CD1-CB 4.39Å; F172-H181 HydrophobicContact CE1-CB 3.58Å; F172-H181 AromaticContact CE1-CG 3.85Å; F172-H181 HydrophobicContact CE2-CB 3.79Å; F172-H181 AromaticContact CE2-CD2 3.61Å; F172-H181 AromaticContact CE2-CG 3.55Å; F172-H181 HydrophobicContact CZ-CB 3.26Å; F172-H181 AromaticContact CZ-CD2 3.59Å; F172-H181 AromaticContact CZ-CE1 3.97Å; F172-H181 AromaticContact CZ-CG 3.05Å; F172-H181 AromaticContact CZ-ND1 3.33Å; F172-H181 VanDerWaalsContact CZ-ND1 3.33Å; F172-H181 WeakPolarHBondContact CZ-ND1 3.12Å
173E71.8Confident75.2Confident133 Ų13379.1 Ų79.162%0.62138%0.381SS*.SBendtrans-76.2-25.5-179.5-60.5176.6166.400112.5V160V160-E173 HydrophobicContact CG1-CB 4.4Å; V160-E173 HydrophobicContact CG1-CG 4.45Å
174T77.8Confident74.8Confident59 Ų5984.1 Ų84.136%0.36240%0.4SS..SBendtrans-129.5147.1179.666.30000111.6S176 Q177 L178T174-S176 PolarHBondContact O-N 2.98Å; T174-Q177 PolarHBondContact O-N 3Å; T174-Q177 VanDerWaalsContact O-N 3.1Å; T174-Q177 WeakPolarHBondContact OG1-CB 3.4Å; T174-Q177 VanDerWaalsContact OG1-CG 3.23Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.42Å; T174-Q177 PolarHBondContact OG1-N 3.44Å; T174-L178 PolarHBondContact O-N 3.49Å; T174-L178 VanDerWaalsContact O-N 3.13Å
175L78.7Confident74.5Confident73 Ų7384.6 Ų84.638%0.38241%0.406SS..Hα-helixtrans-59.7-32.4176.2-171.965.7000111.6Y163 L178 F179Y163-L175 HydrophobicContact CD1-CB 4.4Å; Y163-L175 HydrophobicContact CD1-CD1 3.64Å; Y163-L175 HydrophobicContact CD2-CB 4.37Å; Y163-L175 HydrophobicContact CE1-CB 4.07Å; Y163-L175 HydrophobicContact CE1-CD1 3.74Å; Y163-L175 HydrophobicContact CE1-CG 4.37Å; Y163-L175 HydrophobicContact CE2-CB 4.05Å; Y163-L175 HydrophobicContact CG-CD1 4.25Å; L175-L178 HydrophobicContact CD1-CD2 4.31Å; L175-L178 PolarHBondContact O-N 3.45Å; L175-F179 HydrophobicContact CD1-CD2 4.34Å; L175-F179 HydrophobicContact CD1-CE2 3.89Å; L175-F179 HydrophobicContact CD1-CZ 4.37Å; L175-F179 HydrophobicContact CD2-CD2 4.47Å; L175-F179 HydrophobicContact CD2-CE2 3.73Å; L175-F179 HydrophobicContact CG-CD2 3.81Å; L175-F179 HydrophobicContact CG-CE2 3.46Å; L175-F179 VanDerWaalsContact CG-CE2 3.46Å; L175-F179 HydrophobicContact CG-CZ 4.36Å; L175-F179 WeakPolarHBondContact O-CD2 3.49Å; L175-F179 PolarHBondContact O-N 3.43Å
176S75Confident74.1Confident83 Ų8386.1 Ų86.158%0.5841%0.412SS*.Hα-helixtrans-65.1-40.3175.4-54.40000112.8T174 F179 L180T174-S176 PolarHBondContact O-N 2.98Å; S176-F179 PolarHBondContact O-N 3.09Å; S176-L180 WeakPolarHBondContact O-CB 2.83Å; S176-L180 WeakPolarHBondContact O-CD1 3.4Å; S176-L180 PolarHBondContact O-N 2.92Å
177Q74.4Confident73.5Confident83 Ų8377.3 Ų77.339%0.38839%0.385SS..Hα-helixtrans-65.9-43.2174.7-76.7166.1-400111.1F172 T174 F179 L180 H181F172-Q177 HydrophobicContact CB-CB 3.94Å; F172-Q177 HydrophobicContact CD1-CB 3.85Å; F172-Q177 HydrophobicContact CG-CB 4.18Å; T174-Q177 PolarHBondContact O-N 3Å; T174-Q177 VanDerWaalsContact O-N 3.1Å; T174-Q177 WeakPolarHBondContact OG1-CB 3.4Å; T174-Q177 VanDerWaalsContact OG1-CG 3.23Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.42Å; T174-Q177 PolarHBondContact OG1-N 3.44Å; Q177-F179 VanDerWaalsContact C-N 3.34Å; Q177-F179 PolarHBondContact O-N 3.49Å; Q177-L180 PolarHBondContact O-N 2.89Å; Q177-H181 WeakPolarHBondContact O-CB 3.44Å; Q177-H181 PolarHBondContact O-N 2.92Å
178L80.2Confident72.7Confident26 Ų2676.1 Ų76.114%0.13638%0.383CS..Hα-helixtrans-57.9-46.9173.2170.161.8000111.2C165 F172 T174 L175 L180 H181 A182C165-L178 VanDerWaalsContact CA-CD1 3.4Å; C165-L178 HydrophobicContact CB-CD1 3.54Å; F172-L178 HydrophobicContact CB-CB 4.08Å; F172-L178 HydrophobicContact CD2-CB 3.81Å; F172-L178 HydrophobicContact CD2-CD1 3.71Å; F172-L178 HydrophobicContact CD2-CG 4.37Å; F172-L178 HydrophobicContact CE2-CD1 3.99Å; F172-L178 HydrophobicContact CG-CB 4.11Å; T174-L178 PolarHBondContact O-N 3.49Å; T174-L178 VanDerWaalsContact O-N 3.13Å; L175-L178 HydrophobicContact CD1-CD2 4.31Å; L175-L178 PolarHBondContact O-N 3.45Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 PolarHBondContact O-N 3.39Å; L178-H181 PolarHBondContact O-N 3.3Å; L178-A182 VanDerWaalsContact O-CB 3.29Å; L178-A182 WeakPolarHBondContact O-CB 3.44Å; L178-A182 PolarHBondContact O-N 3.2Å
179F78.5Confident71.6Confident136 Ų13679.6 Ų79.660%0.59641%0.405SS*.Hα-helixtrans-64-39.3178-80.1-55.8000112.6L175 S176 Q177 R183L175-F179 HydrophobicContact CD1-CD2 4.34Å; L175-F179 HydrophobicContact CD1-CE2 3.89Å; L175-F179 HydrophobicContact CD1-CZ 4.37Å; L175-F179 HydrophobicContact CD2-CD2 4.47Å; L175-F179 HydrophobicContact CD2-CE2 3.73Å; L175-F179 HydrophobicContact CG-CD2 3.81Å; L175-F179 HydrophobicContact CG-CE2 3.46Å; L175-F179 VanDerWaalsContact CG-CE2 3.46Å; L175-F179 HydrophobicContact CG-CZ 4.36Å; L175-F179 WeakPolarHBondContact O-CD2 3.49Å; L175-F179 PolarHBondContact O-N 3.43Å; S176-F179 PolarHBondContact O-N 3.09Å; Q177-F179 VanDerWaalsContact C-N 3.34Å; Q177-F179 PolarHBondContact O-N 3.49Å; F179-R183 VanDerWaalsContact O-CB 3.31Å; F179-R183 WeakPolarHBondContact O-CB 3.44Å; F179-R183 PolarHBondContact O-N 3.41Å
180L74.5Confident70.6Confident76 Ų7682.9 Ų82.940%0.39842%0.418SS..Hα-helixtrans-64.6-43.6175.1-106.587.8000111.8S176 Q177 L178 R183 R184 N207S176-L180 WeakPolarHBondContact O-CB 2.83Å; S176-L180 WeakPolarHBondContact O-CD1 3.4Å; S176-L180 PolarHBondContact O-N 2.92Å; Q177-L180 PolarHBondContact O-N 2.89Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 PolarHBondContact O-N 3.39Å; L180-R183 PolarHBondContact O-N 3.06Å; L180-R184 WeakPolarHBondContact O-CB 3.46Å; L180-R184 VanDerWaalsContact O-CG 3.31Å; L180-R184 WeakPolarHBondContact O-CG 3.14Å; L180-R184 PolarHBondContact O-N 2.82Å; L180-N207 WeakPolarHBondContact CD2-ND2 3.49Å
181H78.5Confident69Low16 Ų1685.9 Ų85.97%0.07443%0.429CS..Hα-helixtrans-63.3-51.5176.3164.889.7000110.7C168 E170 F172 Q177 L178 R183 R184 S185 H186C168-H181 PolarHBondContact SG-CE1 3.49Å; C168-H181 PolarHBondContact SG-NE2 3.17Å; E170-H181 VanDerWaalsContact CD-CE1 3.45Å; E170-H181 IonicContact OE1-CE1 3.05Å; E170-H181 IonicContact OE2-CE1 3.98Å; E170-H181 PolarHBondContact OE2-CE1 2.9Å; E170-H181 IonicContact OE2-ND1 2.91Å; E170-H181 PolarHBondContact OE2-ND1 2.88Å; E170-H181 IonicContact OE2-NE2 3.18Å; F172-H181 HydrophobicContact CD1-CB 4.39Å; F172-H181 HydrophobicContact CE1-CB 3.58Å; F172-H181 AromaticContact CE1-CG 3.85Å; F172-H181 HydrophobicContact CE2-CB 3.79Å; F172-H181 AromaticContact CE2-CD2 3.61Å; F172-H181 AromaticContact CE2-CG 3.55Å; F172-H181 HydrophobicContact CZ-CB 3.26Å; F172-H181 AromaticContact CZ-CD2 3.59Å; F172-H181 AromaticContact CZ-CE1 3.97Å; F172-H181 AromaticContact CZ-CG 3.05Å; F172-H181 AromaticContact CZ-ND1 3.33Å; F172-H181 VanDerWaalsContact CZ-ND1 3.33Å; F172-H181 WeakPolarHBondContact CZ-ND1 3.12Å; Q177-H181 WeakPolarHBondContact O-CB 3.44Å; Q177-H181 PolarHBondContact O-N 2.92Å; L178-H181 PolarHBondContact O-N 3.3Å; H181-R183 PolarHBondContact O-N 3.25Å; H181-R184 PolarHBondContact O-N 3.16Å; H181-S185 PolarHBondContact CE1-OG 3.21Å; H181-S185 PolarHBondContact ND1-OG 2.73Å; H181-S185 PolarHBondContact O-N 3.39Å; H181-S185 PolarHBondContact O-OG 2.77Å; H181-H186 AromaticContact CD2-CD2 3.9Å; H181-H186 AromaticContact NE2-CD2 3.33Å; H181-H186 PolarHBondContact NE2-CD2 3.44Å; H181-H186 VanDerWaalsContact NE2-CD2 3.33Å; H181-H186 AromaticContact NE2-NE2 3.27Å; H181-H186 PolarHBondContact NE2-NE2 2.84Å
182A75.4Confident67.8Low26 Ų2685.3 Ų85.322%0.21543%0.431CS..Iπ-helixtrans-58.7-37.117900000111.1L178 H186 V187L178-A182 VanDerWaalsContact O-CB 3.29Å; L178-A182 WeakPolarHBondContact O-CB 3.44Å; L178-A182 PolarHBondContact O-N 3.2Å; A182-H186 CarbonylContact O-C 3.55Å; A182-H186 WeakPolarHBondContact O-CA 3.35Å; A182-H186 VanDerWaalsContact O-CB 3.24Å; A182-H186 WeakPolarHBondContact O-CB 3.29Å; A182-H186 PolarHBondContact O-N 3.36Å; A182-H186 VanDerWaalsContact O-N 3.15Å; A182-V187 WeakPolarHBondContact O-CG2 3.14Å; A182-V187 PolarHBondContact O-N 2.8Å
183R72.1Confident66.3Low116 Ų11694.4 Ų94.444%0.43847%0.47SS..Iπ-helixtrans-73.1-27.3175.9-161.5170.780.3-1685.6114.1F179 L180 H181 V187 N207F179-R183 VanDerWaalsContact O-CB 3.31Å; F179-R183 WeakPolarHBondContact O-CB 3.44Å; F179-R183 PolarHBondContact O-N 3.41Å; L180-R183 PolarHBondContact O-N 3.06Å; H181-R183 PolarHBondContact O-N 3.25Å; R183-V187 HydrophobicContact CG-CB 4.43Å; R183-V187 HydrophobicContact CG-CG2 4.47Å; R183-N207 PolarHBondContact NH2-O 3.37Å
184R70.4Confident65.2Low160 Ų16098 Ų9860%0.60448%0.478SS*.Iπ-helixtrans-83.5-46.3178.4-79.4177.8172165.74.2112.9L180 H181 N207L180-R184 WeakPolarHBondContact O-CB 3.46Å; L180-R184 VanDerWaalsContact O-CG 3.31Å; L180-R184 WeakPolarHBondContact O-CG 3.14Å; L180-R184 PolarHBondContact O-N 2.82Å; H181-R184 PolarHBondContact O-N 3.16Å; R184-N207 WeakPolarHBondContact CG-ND2 3.2Å; R184-N207 VanDerWaalsContact CZ-OD1 3.26Å; R184-N207 PolarHBondContact NE-ND2 2.9Å; R184-N207 PolarHBondContact NE-OD1 3.3Å; R184-N207 PolarHBondContact NH2-ND2 3Å; R184-N207 PolarHBondContact NH2-OD1 2.85Å
185S71Confident63.4Low74 Ų74100.2 Ų100.252%0.51749%0.488SS..Iπ-helixtrans-99.9-20.9-167-51.50000113.6H181H181-S185 PolarHBondContact CE1-OG 3.21Å; H181-S185 PolarHBondContact ND1-OG 2.73Å; H181-S185 PolarHBondContact O-N 3.39Å; H181-S185 PolarHBondContact O-OG 2.77Å
186H66.9Low62.2Low38 Ų3899 Ų9918%0.17648%0.484CS..Iπ-helixtrans-129.5-22.7-167.1-74.5-48.1000115.4C165 Q167 C168 H181 A182 D188C165-H186 PolarHBondContact SG-CD2 3.45Å; C165-H186 PolarHBondContact SG-NE2 2.93Å; Q167-H186 HydrophobicContact CB-CB 4.34Å; Q167-H186 WeakPolarHBondContact CB-CE1 3.49Å; Q167-H186 VanDerWaalsContact CB-CG 3.49Å; Q167-H186 WeakPolarHBondContact CB-ND1 3.42Å; Q167-H186 PolarHBondContact OE1-ND1 3.43Å; C168-H186 WeakPolarHBondContact CB-NE2 3.41Å; C168-H186 PolarHBondContact N-CE1 2.75Å; C168-H186 PolarHBondContact N-NE2 2.88Å; C168-H186 PolarHBondContact SG-NE2 3.1Å; H181-H186 AromaticContact CD2-CD2 3.9Å; H181-H186 AromaticContact NE2-CD2 3.33Å; H181-H186 PolarHBondContact NE2-CD2 3.44Å; H181-H186 VanDerWaalsContact NE2-CD2 3.33Å; H181-H186 AromaticContact NE2-NE2 3.27Å; H181-H186 PolarHBondContact NE2-NE2 2.84Å; A182-H186 CarbonylContact O-C 3.55Å; A182-H186 WeakPolarHBondContact O-CA 3.35Å; A182-H186 VanDerWaalsContact O-CB 3.24Å; A182-H186 WeakPolarHBondContact O-CB 3.29Å; A182-H186 PolarHBondContact O-N 3.36Å; A182-H186 VanDerWaalsContact O-N 3.15Å; H186-D188 PolarHBondContact O-N 3.46Å
187V61.9Low61.1Low54 Ų5499.2 Ų99.233%0.32749%0.491SS..SBendtrans-84.2103.3169.2177.10000105.9A182 R183A182-V187 WeakPolarHBondContact O-CG2 3.14Å; A182-V187 PolarHBondContact O-N 2.8Å; R183-V187 HydrophobicContact CG-CB 4.43Å; R183-V187 HydrophobicContact CG-CG2 4.47Å
188D46.3Very low60.4Low110 Ų11099.9 Ų99.959%0.58850%0.498SS*.  trans-46.3127.4162.9-75.1-40.2000107.7H186 K190 K191H186-D188 PolarHBondContact O-N 3.46Å; D188-K190 PolarHBondContact O-N 3.07Å; D188-K191 PolarHBondContact O-N 3.09Å
189P53.8Low59.5Low119 Ų119103.2 Ų103.277%0.77351%0.511SS*.THydrogen-bonded Turntrans-54.7-17.5174.918.6-29.7000112.1
190K49.1Very low59.2Low174 Ų174105 Ų10576%0.75752%0.518SS*.THydrogen-bonded Turntrans-84.1-7175.6-64.6-175179.11800115.7D188 P196D188-K190 PolarHBondContact O-N 3.07Å; K190-P196 WeakPolarHBondContact O-CB 3.41Å; K190-P196 WeakPolarHBondContact O-CG 3.36Å
191K41.4Very low59.1Low161 Ų161104.8 Ų104.870%0.752%0.515SS*.  trans-147.962.9-176.8-63.7-173.9-176.9172.20116.7D188D188-K191 PolarHBondContact O-N 3.09Å
192P46.1Very low59.1Low43 Ų43110.8 Ų110.828%0.27954%0.542SS..  trans-68.2149.116027.4-27.2000111.9R194 P196P192-R194 CarbonylContact O-C 3.6Å; P192-R194 PolarHBondContact O-N 3.24Å; P192-P196 HydrophobicContact CG-CB 4.25Å; P192-P196 WeakPolarHBondContact O-CD 3.41Å
193K48.7Very low59.3Low222 Ų222110 Ų11097%0.96554%0.536SS*.SBendtrans-63.70.6178.4-72.4-177.5176.8-179.40115.2
194R47.9Very low59.4Low208 Ų208110.3 Ų110.379%0.78555%0.545SS*.SBendtrans-125.2113.2165.9-73.9-177.6179-96.10.5105.8P192P192-R194 CarbonylContact O-C 3.6Å; P192-R194 PolarHBondContact O-N 3.24Å
195N40.8Very low59.5Low107 Ų107108.5 Ų108.557%0.57254%0.544SS*.  trans-0.799.5-176.8-154.64.4000116.4A197N195-A197 PolarHBondContact O-N 2.85Å; N195-A197 VanDerWaalsContact O-N 3.11Å
196P52.9Low59.8Low47 Ų47106.4 Ų106.431%0.30553%0.529SS..G310 helixtrans-47.9-30.8172.85.4-23.4000116.1K190 P192 N198 F199K190-P196 WeakPolarHBondContact O-CB 3.41Å; K190-P196 WeakPolarHBondContact O-CG 3.36Å; P192-P196 HydrophobicContact CG-CB 4.25Å; P192-P196 WeakPolarHBondContact O-CD 3.41Å; P196-N198 PolarHBondContact O-N 3.21Å; P196-N198 VanDerWaalsContact O-N 3.1Å; P196-F199 PolarHBondContact O-N 3.27Å
197A52.7Low59.8Low87 Ų87106.4 Ų106.472%0.71953%0.53SS*.G310 helixtrans-63.1-22-169.300000113.7N195N195-A197 PolarHBondContact O-N 2.85Å; N195-A197 VanDerWaalsContact O-N 3.11Å
198N58.5Low60.3Low98 Ų98108.4 Ų108.452%0.52453%0.533SS..G310 helixtrans-92.9-23.9-173.8-90.8-50.2000114.7P196 K200 N211P196-N198 PolarHBondContact O-N 3.21Å; P196-N198 VanDerWaalsContact O-N 3.1Å; N198-K200 PolarHBondContact O-N 3.41Å; N198-N211 HydrophobicContact CB-CB 4.36Å; N198-N211 WeakPolarHBondContact O-CA 3.43Å; N198-N211 WeakPolarHBondContact O-CB 3.33Å
199F61.7Low61.6Low96 Ų96107.4 Ų107.442%0.42153%0.526SS..  trans-91.285.1-171.9-61.9-77.9000112.4P196 N211P196-F199 PolarHBondContact O-N 3.27Å; F199-N211 HydrophobicContact CD1-CB 4.05Å; F199-N211 HydrophobicContact CE1-CB 4.41Å
200K72.7Confident62.8Low172 Ų172102.1 Ų102.175%0.74849%0.491SS*.  trans-79.1-25.2-177.4-171.5175.7179-176.90114.6N198 T210N198-K200 PolarHBondContact O-N 3.41Å; K200-T210 PolarHBondContact N-O 3.48Å
201F73.3Confident64.2Low73 Ų7397.1 Ų97.132%0.3247%0.473SS..EExtended strand (participates in β ladder)trans-115.5116.7-167.4-57-82.2000112.6M209 T210 N211 N212 G213 M216F201-M209 CarbonylContact O-C 3.34Å; F201-M209 WeakPolarHBondContact O-CA 3.06Å; F201-T210 HydrophobicContact CB-CG2 4.1Å; F201-T210 PolarHBondContact N-O 3.18Å; F201-T210 PolarHBondContact O-N 3.09Å; F201-N211 WeakPolarHBondContact CD2-O 3.41Å; F201-N211 WeakPolarHBondContact CE2-O 3.36Å; F201-N212 VanDerWaalsContact CD2-C 3.43Å; F201-G213 VanDerWaalsContact CE2-CA 3.49Å; F201-M216 HydrophobicContact CB-CB 3.72Å; F201-M216 HydrophobicContact CB-CG 3.82Å; F201-M216 HydrophobicContact CB-SD 4.49Å; F201-M216 HydrophobicContact CG-CB 4.35Å
202H77.9Confident66Low141 Ų14193.6 Ų93.665%0.65346%0.462SS*.EExtended strand (participates in β ladder)trans-105.3148.5173.161.3-4.6000112.5M209 M216H202-M209 HydrophobicContact CB-CG 4.15Å; H202-M216 VanDerWaalsContact C-SD 3.59Å
203C79.2Confident67.7Low11 Ų1193 Ų937%0.07446%0.462CS..  trans-79.5133.7167.9-178.50000110.8C206 Y208 M216 H219C203-C206 CarbonylContact C-O 3.23Å; C203-C206 HydrophobicContact CB-CB 4.3Å; C203-C206 VanDerWaalsContact CB-O 3.26Å; C203-C206 WeakPolarHBondContact CB-O 3.28Å; C203-C206 WeakPolarHBondContact CB-SG 3.37Å; C203-C206 VanDerWaalsContact SG-CA 3.52Å; C203-C206 WeakPolarHBondContact SG-CB 3.31Å; C203-C206 PolarHBondContact SG-N 3.38Å; C203-C206 CovalentContact SG-SG 2.08Å; C203-C206 PolarHBondContact SG-SG 2.85Å; C203-Y208 WeakPolarHBondContact CB-O 3.32Å; C203-Y208 PolarHBondContact N-O 2.94Å; C203-M216 HydrophobicContact CB-CE 3.52Å; C203-M216 HydrophobicContact CB-SD 4.22Å; C203-H219 PolarHBondContact SG-NE2 3.19Å
204D75.2Confident69.3Low121 Ų12184.1 Ų84.165%0.64744%0.435SS*.SBendtrans-81.9-34.3175.155.3-30.7000112
205Q71.4Confident70.8Confident122 Ų12276.6 Ų76.657%0.5741%0.412SS*.SBendtrans-88.7-6.9-179.2-58.9-168.92000114.1H223Q205-H223 VanDerWaalsContact CB-CE1 3.44Å; Q205-H223 WeakPolarHBondContact CB-CE1 3.29Å; Q205-H223 WeakPolarHBondContact CB-ND1 3.4Å; Q205-H223 VanDerWaalsContact OE1-CG 3.23Å; Q205-H223 PolarHBondContact OE1-ND1 2.72Å
206C76.7Confident72.8Confident31 Ų3171.8 Ų71.821%0.20939%0.386CS..SBendtrans-161.4174.7-17177.10000112.1C203 Y208 H219 H223C203-C206 CarbonylContact C-O 3.23Å; C203-C206 HydrophobicContact CB-CB 4.3Å; C203-C206 VanDerWaalsContact CB-O 3.26Å; C203-C206 WeakPolarHBondContact CB-O 3.28Å; C203-C206 WeakPolarHBondContact CB-SG 3.37Å; C203-C206 VanDerWaalsContact SG-CA 3.52Å; C203-C206 WeakPolarHBondContact SG-CB 3.31Å; C203-C206 PolarHBondContact SG-N 3.38Å; C203-C206 CovalentContact SG-SG 2.08Å; C203-C206 PolarHBondContact SG-SG 2.85Å; C206-Y208 VanDerWaalsContact C-N 3.29Å; C206-Y208 PolarHBondContact O-N 3.28Å; C206-Y208 VanDerWaalsContact SG-CB 3.52Å; C206-Y208 PolarHBondContact SG-N 3.06Å; C206-Y208 VanDerWaalsContact SG-N 3.36Å; C206-H219 PolarHBondContact SG-CE1 2.96Å; C206-H219 PolarHBondContact SG-NE2 3.33Å; C206-H223 WeakPolarHBondContact CB-NE2 3.37Å; C206-H223 PolarHBondContact SG-NE2 3.46Å; C206-H223 VanDerWaalsContact SG-NE2 3.41Å
207N67.9Low74.3Confident37 Ų3774.6 Ų74.620%0.19840%0.395CS..SBendtrans-88.816.3-179.4-66.8-1.1000114.1L180 R183 R184L180-N207 WeakPolarHBondContact CD2-ND2 3.49Å; R183-N207 PolarHBondContact NH2-O 3.37Å; R184-N207 WeakPolarHBondContact CG-ND2 3.2Å; R184-N207 VanDerWaalsContact CZ-OD1 3.26Å; R184-N207 PolarHBondContact NE-ND2 2.9Å; R184-N207 PolarHBondContact NE-OD1 3.3Å; R184-N207 PolarHBondContact NH2-ND2 3Å; R184-N207 PolarHBondContact NH2-OD1 2.85Å
208Y72.9Confident75.7Confident97 Ų9773.2 Ų73.238%0.3837%0.374SS..  trans-72.1133.9179.1-171.9-102.8000109.7C203 C206 T210 M216 H219C203-Y208 WeakPolarHBondContact CB-O 3.32Å; C203-Y208 PolarHBondContact N-O 2.94Å; C206-Y208 VanDerWaalsContact C-N 3.29Å; C206-Y208 PolarHBondContact O-N 3.28Å; C206-Y208 VanDerWaalsContact SG-CB 3.52Å; C206-Y208 PolarHBondContact SG-N 3.06Å; C206-Y208 VanDerWaalsContact SG-N 3.36Å; Y208-T210 HydrophobicContact CD1-CG2 4.47Å; Y208-T210 HydrophobicContact CE1-CG2 3.87Å; Y208-M216 HydrophobicContact CD1-SD 4.25Å; Y208-H219 HydrophobicContact CD1-CB 3.7Å; Y208-H219 AromaticContact CD1-CD2 3.72Å; Y208-H219 AromaticContact CD1-CG 3.27Å; Y208-H219 AromaticContact CD1-ND1 3.58Å; Y208-H219 HydrophobicContact CE1-CB 3.75Å; Y208-H219 AromaticContact CE1-CG 3.83Å; Y208-H219 AromaticContact CG-CE1 3.83Å; Y208-H219 AromaticContact CG-CG 3.72Å; Y208-H219 AromaticContact CG-ND1 3.54Å
209M72.9Confident76.8Confident89 Ų8970.3 Ų70.344%0.43836%0.357SS..EExtended strand (participates in β ladder)trans-135.7139.6177.1-64-179.9-63.300107.9F201 H202F201-M209 CarbonylContact O-C 3.34Å; F201-M209 WeakPolarHBondContact O-CA 3.06Å; H202-M209 HydrophobicContact CB-CG 4.15Å
210T78.2Confident77.7Confident8 Ų870.5 Ų70.55%0.04936%0.357CS..EExtended strand (participates in β ladder)trans-147.1158.7-177.7-174.60000110.2K200 F201 Y208 N212 T215 M216K200-T210 PolarHBondContact N-O 3.48Å; F201-T210 HydrophobicContact CB-CG2 4.1Å; F201-T210 PolarHBondContact N-O 3.18Å; F201-T210 PolarHBondContact O-N 3.09Å; Y208-T210 HydrophobicContact CD1-CG2 4.47Å; Y208-T210 HydrophobicContact CE1-CG2 3.87Å; T210-N212 VanDerWaalsContact CG2-O 3.31Å; T210-N212 WeakPolarHBondContact CG2-O 3.33Å; T210-N212 PolarHBondContact OG1-N 3.05Å; T210-T215 WeakPolarHBondContact CB-OG1 2.91Å; T210-T215 VanDerWaalsContact CG2-OG1 3.26Å; T210-T215 WeakPolarHBondContact CG2-OG1 3.33Å; T210-T215 PolarHBondContact OG1-OG1 3.27Å; T210-M216 HydrophobicContact CG2-CB 3.56Å; T210-M216 HydrophobicContact CG2-CG 4.41Å; T210-M216 HydrophobicContact CG2-SD 4.25Å
211N79.3Confident78.2Confident69 Ų6964 Ų6437%0.36933%0.328SS..SBendtrans-87.4-20.4177.157.5-29.6000112.7N198 F199 F201N198-N211 HydrophobicContact CB-CB 4.36Å; N198-N211 WeakPolarHBondContact O-CA 3.43Å; N198-N211 WeakPolarHBondContact O-CB 3.33Å; F199-N211 HydrophobicContact CD1-CB 4.05Å; F199-N211 HydrophobicContact CE1-CB 4.41Å; F201-N211 WeakPolarHBondContact CD2-O 3.41Å; F201-N211 WeakPolarHBondContact CE2-O 3.36Å
212N79.8Confident78.4Confident87 Ų8763.7 Ų63.747%0.46534%0.339SS..  trans-102.4135.6-177.4-64.29.3000110.7F201 T210 T215 M216F201-N212 VanDerWaalsContact CD2-C 3.43Å; T210-N212 VanDerWaalsContact CG2-O 3.31Å; T210-N212 WeakPolarHBondContact CG2-O 3.33Å; T210-N212 PolarHBondContact OG1-N 3.05Å; N212-T215 HydrophobicContact CB-CG2 4.07Å; N212-T215 WeakPolarHBondContact CB-OG1 3.46Å; N212-T215 PolarHBondContact O-OG1 3Å; N212-M216 PolarHBondContact O-N 2.91Å
213G80.7Confident78.5Confident29 Ų2960.3 Ų60.330%0.29932%0.323SS..Hα-helixtrans-63.6-45176.600000111.3F201 T215 M216 E217F201-G213 VanDerWaalsContact CE2-CA 3.49Å; G213-T215 PolarHBondContact O-N 2.78Å; G213-M216 WeakPolarHBondContact O-CB 3.33Å; G213-M216 PolarHBondContact O-N 3.01Å; G213-M216 VanDerWaalsContact O-N 3.1Å; G213-E217 PolarHBondContact O-N 2.89Å
214G82.2Confident78.6Confident37 Ų3763.4 Ų63.438%0.38134%0.342SS..Hα-helixtrans-58.8-46.1178.500000113M216 E217 H218G214-M216 PolarHBondContact O-N 3.41Å; G214-E217 PolarHBondContact O-N 3.02Å; G214-H218 VanDerWaalsContact C-ND1 3.35Å; G214-H218 PolarHBondContact O-N 3.38Å; G214-H218 PolarHBondContact O-ND1 3.23Å
215T80.9Confident78.8Confident49 Ų4960 Ų6030%0.30134%0.336SS..Hα-helixtrans-63.9-31.8177.851.40000112.2T210 N212 G213 H219T210-T215 WeakPolarHBondContact CB-OG1 2.91Å; T210-T215 VanDerWaalsContact CG2-OG1 3.26Å; T210-T215 WeakPolarHBondContact CG2-OG1 3.33Å; T210-T215 PolarHBondContact OG1-OG1 3.27Å; N212-T215 HydrophobicContact CB-CG2 4.07Å; N212-T215 WeakPolarHBondContact CB-OG1 3.46Å; N212-T215 PolarHBondContact O-OG1 3Å; G213-T215 PolarHBondContact O-N 2.78Å; T215-H219 WeakPolarHBondContact O-CB 3.17Å; T215-H219 PolarHBondContact O-N 3.33Å
216M82.6Confident79.2Confident7 Ų759.6 Ų59.63%0.03433%0.334CS..Hα-helixtrans-67.5-43.6174.5-174.861.2-13700110.8F201 H202 C203 Y208 T210 N212 G213 G214 H219 K220F201-M216 HydrophobicContact CB-CB 3.72Å; F201-M216 HydrophobicContact CB-CG 3.82Å; F201-M216 HydrophobicContact CB-SD 4.49Å; F201-M216 HydrophobicContact CG-CB 4.35Å; H202-M216 VanDerWaalsContact C-SD 3.59Å; C203-M216 HydrophobicContact CB-CE 3.52Å; C203-M216 HydrophobicContact CB-SD 4.22Å; Y208-M216 HydrophobicContact CD1-SD 4.25Å; T210-M216 HydrophobicContact CG2-CB 3.56Å; T210-M216 HydrophobicContact CG2-CG 4.41Å; T210-M216 HydrophobicContact CG2-SD 4.25Å; N212-M216 PolarHBondContact O-N 2.91Å; G213-M216 WeakPolarHBondContact O-CB 3.33Å; G213-M216 PolarHBondContact O-N 3.01Å; G213-M216 VanDerWaalsContact O-N 3.1Å; G214-M216 PolarHBondContact O-N 3.41Å; M216-H219 CarbonylContact O-C 3.59Å; M216-H219 WeakPolarHBondContact O-CA 3.42Å; M216-H219 VanDerWaalsContact O-CB 3.32Å; M216-H219 WeakPolarHBondContact O-CB 3.09Å; M216-H219 PolarHBondContact O-N 2.96Å; M216-H219 VanDerWaalsContact O-N 3.15Å; M216-K220 HydrophobicContact CE-CD 4.33Å; M216-K220 HydrophobicContact CE-CG 3.6Å; M216-K220 WeakPolarHBondContact O-CG 3.24Å; M216-K220 PolarHBondContact O-N 3.38Å
217E83.2Confident79.5Confident106 Ų10661.9 Ų61.950%0.49534%0.34SS..Hα-helixtrans-65.1-46.5177.8-161.4-160.7128.800111.9G213 G214 H219 K220 R221G213-E217 PolarHBondContact O-N 2.89Å; G214-E217 PolarHBondContact O-N 3.02Å; E217-H219 PolarHBondContact O-N 3.13Å; E217-K220 WeakPolarHBondContact O-CB 3.29Å; E217-K220 PolarHBondContact O-N 3.21Å; E217-R221 PolarHBondContact O-N 3.35Å; E217-R221 IonicContact OE1-CZ 3.84Å; E217-R221 IonicContact OE1-NE 3.94Å; E217-R221 IonicContact OE1-NH2 2.88Å; E217-R221 PolarHBondContact OE1-NH2 3.04Å
218H81.7Confident80.3Confident58 Ų5863.3 Ų63.327%0.26935%0.351SS..Hα-helixtrans-55.2-35.6171-71.4105.2000112.2G214 R221 Q240G214-H218 VanDerWaalsContact C-ND1 3.35Å; G214-H218 PolarHBondContact O-N 3.38Å; G214-H218 PolarHBondContact O-ND1 3.23Å; H218-R221 PolarHBondContact CD2-NH1 3.48Å; H218-R221 PolarHBondContact NE2-NH1 3.24Å; H218-Q240 HydrophobicContact CB-CG 4.44Å
219H82.1Confident80.9Confident37 Ų3761.2 Ų61.217%0.17134%0.344CS..Hα-helixtrans-71-41.5175.5172.377.3000112C203 C206 Y208 T215 M216 E217 R221 A222 H223C203-H219 PolarHBondContact SG-NE2 3.19Å; C206-H219 PolarHBondContact SG-CE1 2.96Å; C206-H219 PolarHBondContact SG-NE2 3.33Å; Y208-H219 HydrophobicContact CD1-CB 3.7Å; Y208-H219 AromaticContact CD1-CD2 3.72Å; Y208-H219 AromaticContact CD1-CG 3.27Å; Y208-H219 AromaticContact CD1-ND1 3.58Å; Y208-H219 HydrophobicContact CE1-CB 3.75Å; Y208-H219 AromaticContact CE1-CG 3.83Å; Y208-H219 AromaticContact CG-CE1 3.83Å; Y208-H219 AromaticContact CG-CG 3.72Å; Y208-H219 AromaticContact CG-ND1 3.54Å; T215-H219 WeakPolarHBondContact O-CB 3.17Å; T215-H219 PolarHBondContact O-N 3.33Å; M216-H219 CarbonylContact O-C 3.59Å; M216-H219 WeakPolarHBondContact O-CA 3.42Å; M216-H219 VanDerWaalsContact O-CB 3.32Å; M216-H219 WeakPolarHBondContact O-CB 3.09Å; M216-H219 PolarHBondContact O-N 2.96Å; M216-H219 VanDerWaalsContact O-N 3.15Å; E217-H219 PolarHBondContact O-N 3.13Å; H219-R221 PolarHBondContact O-N 2.82Å; H219-A222 WeakPolarHBondContact O-CB 3.26Å; H219-A222 PolarHBondContact O-N 3.25Å; H219-H223 AromaticContact NE2-CD2 3.56Å; H219-H223 AromaticContact NE2-NE2 3.46Å; H219-H223 PolarHBondContact NE2-NE2 3.14Å
220K80.3Confident81.5Confident100 Ų10059.8 Ų59.844%0.43534%0.341SS..Hα-helixtrans-58.7-33173.6-68-170.5178-178.40112.1M216 E217 A222 H223 T224M216-K220 HydrophobicContact CE-CD 4.33Å; M216-K220 HydrophobicContact CE-CG 3.6Å; M216-K220 WeakPolarHBondContact O-CG 3.24Å; M216-K220 PolarHBondContact O-N 3.38Å; E217-K220 WeakPolarHBondContact O-CB 3.29Å; E217-K220 PolarHBondContact O-N 3.21Å; K220-A222 PolarHBondContact O-N 3.44Å; K220-H223 WeakPolarHBondContact O-CA 3.39Å; K220-H223 VanDerWaalsContact O-CB 3.28Å; K220-H223 WeakPolarHBondContact O-CB 3.15Å; K220-H223 PolarHBondContact O-N 2.8Å; K220-T224 PolarHBondContact O-N 3.48Å
221R83.2Confident81.8Confident34 Ų3459.4 Ų59.413%0.12834%0.338CS..Hα-helixtrans-59.8-26.1173.5-63.9-179.6-158.6152.26113.4E217 H218 H219 H223 T224 G225 E226 A239E217-R221 PolarHBondContact O-N 3.35Å; E217-R221 IonicContact OE1-CZ 3.84Å; E217-R221 IonicContact OE1-NE 3.94Å; E217-R221 IonicContact OE1-NH2 2.88Å; E217-R221 PolarHBondContact OE1-NH2 3.04Å; H218-R221 PolarHBondContact CD2-NH1 3.48Å; H218-R221 PolarHBondContact NE2-NH1 3.24Å; H219-R221 PolarHBondContact O-N 2.82Å; R221-H223 PolarHBondContact O-N 3.22Å; R221-T224 WeakPolarHBondContact CA-OG1 3.31Å; R221-G225 WeakPolarHBondContact O-CA 3.37Å; R221-G225 PolarHBondContact O-N 3.27Å; R221-E226 PolarHBondContact O-N 3.29Å; R221-A239 HydrophobicContact CB-CB 4.34Å; R221-A239 WeakPolarHBondContact CD-O 3.28Å; R221-A239 PolarHBondContact NH1-O 2.91Å
222A78Confident82Confident67 Ų6760.7 Ų60.755%0.55435%0.345SS*.Hα-helixtrans-69.1-22.4173.400000113H219 K220H219-A222 WeakPolarHBondContact O-CB 3.26Å; H219-A222 PolarHBondContact O-N 3.25Å; K220-A222 PolarHBondContact O-N 3.44Å
223H80.8Confident81.9Confident70 Ų7060.5 Ų60.532%0.32435%0.347SS..Hα-helixtrans-89.1-45.9176.4-78.9-75.2000112.5Q205 C206 H219 K220 R221 G225Q205-H223 VanDerWaalsContact CB-CE1 3.44Å; Q205-H223 WeakPolarHBondContact CB-CE1 3.29Å; Q205-H223 WeakPolarHBondContact CB-ND1 3.4Å; Q205-H223 VanDerWaalsContact OE1-CG 3.23Å; Q205-H223 PolarHBondContact OE1-ND1 2.72Å; C206-H223 WeakPolarHBondContact CB-NE2 3.37Å; C206-H223 PolarHBondContact SG-NE2 3.46Å; C206-H223 VanDerWaalsContact SG-NE2 3.41Å; H219-H223 AromaticContact NE2-CD2 3.56Å; H219-H223 AromaticContact NE2-NE2 3.46Å; H219-H223 PolarHBondContact NE2-NE2 3.14Å; K220-H223 WeakPolarHBondContact O-CA 3.39Å; K220-H223 VanDerWaalsContact O-CB 3.28Å; K220-H223 WeakPolarHBondContact O-CB 3.15Å; K220-H223 PolarHBondContact O-N 2.8Å; R221-H223 PolarHBondContact O-N 3.22Å; H223-G225 PolarHBondContact O-N 3.21Å
224T80.6Confident82Confident76 Ų7661.2 Ų61.247%0.46635%0.347SS..Hα-helixtrans-70.5-21.8176.562.30000111.8K220 R221 E226K220-T224 PolarHBondContact O-N 3.48Å; R221-T224 WeakPolarHBondContact CA-OG1 3.31Å; T224-E226 PolarHBondContact O-N 2.94Å; T224-E226 WeakPolarHBondContact OG1-CB 3.44Å; T224-E226 WeakPolarHBondContact OG1-CG 3.43Å; T224-E226 PolarHBondContact OG1-N 3.4Å; T224-E226 PolarHBondContact OG1-OE2 2.99Å
225G78.8Confident82Confident50 Ų5065.3 Ų65.352%0.51536%0.36SS..  trans72.69.4-175.200000112.7R221 H223 K227R221-G225 WeakPolarHBondContact O-CA 3.37Å; R221-G225 PolarHBondContact O-N 3.27Å; H223-G225 PolarHBondContact O-N 3.21Å; G225-K227 PolarHBondContact O-N 3.38Å
226E80.2Confident82.1Confident113 Ų11367.8 Ų67.853%0.52837%0.367SS..  trans-67.3124.5179.7-71.5166158.700110.2R221 T224 P228R221-E226 PolarHBondContact O-N 3.29Å; T224-E226 PolarHBondContact O-N 2.94Å; T224-E226 WeakPolarHBondContact OG1-CB 3.44Å; T224-E226 WeakPolarHBondContact OG1-CG 3.43Å; T224-E226 PolarHBondContact OG1-N 3.4Å; T224-E226 PolarHBondContact OG1-OE2 2.99Å; E226-P228 WeakPolarHBondContact O-CD 3.48Å
227K84.2Confident82.2Confident80 Ų8074.9 Ų74.935%0.34839%0.393SS..  trans-121.783178-61.7-168.5179.8-1640109.2G225 R237 F238 D580G225-K227 PolarHBondContact O-N 3.38Å; K227-R237 HydrophobicContact CB-CB 3.59Å; K227-R237 HydrophobicContact CD-CB 4.32Å; K227-R237 VanDerWaalsContact CD-O 3.32Å; K227-R237 WeakPolarHBondContact CD-O 3.12Å; K227-R237 PolarHBondContact O-NE 3.05Å; K227-R237 VanDerWaalsContact O-NE 3.13Å; K227-F238 CarbonylContact C-O 3.48Å; K227-F238 WeakPolarHBondContact CA-O 3.3Å; K227-D580 IonicContact NZ-OD1 3.11Å; K227-D580 PolarHBondContact NZ-OD1 3.31Å
228P83.5Confident82.4Confident66 Ų6670.7 Ų70.743%0.42937%0.373SS..  trans-69-36.1-174.2-17.931.2000112.7E226 V230 F238E226-P228 WeakPolarHBondContact O-CD 3.48Å; P228-V230 PolarHBondContact O-N 3.01Å; P228-F238 WeakPolarHBondContact CD-O 3.3Å
229F85.1Confident82.5Confident53 Ų5369.1 Ų69.123%0.23237%0.371CS..EExtended strand (participates in β ladder)trans-88115.5-167.9-56.2-77.1000111R237 F238 K241 M244F229-R237 CarbonylContact O-C 3.56Å; F229-R237 VanDerWaalsContact O-CA 3.28Å; F229-R237 WeakPolarHBondContact O-CA 3.39Å; F229-F238 HydrophobicContact CB-CB 4.43Å; F229-F238 PolarHBondContact N-O 2.76Å; F229-F238 VanDerWaalsContact N-O 3.09Å; F229-F238 PolarHBondContact O-N 2.79Å; F229-K241 HydrophobicContact CD1-CB 3.88Å; F229-K241 HydrophobicContact CD1-CG 4.16Å; F229-K241 HydrophobicContact CD2-CB 4.48Å; F229-K241 VanDerWaalsContact CD2-N 3.3Å; F229-K241 HydrophobicContact CE1-CB 3.65Å; F229-K241 HydrophobicContact CE1-CD 4.37Å; F229-K241 HydrophobicContact CE1-CG 4.06Å; F229-K241 HydrophobicContact CE2-CB 4.28Å; F229-K241 HydrophobicContact CG-CB 4.29Å; F229-K241 HydrophobicContact CZ-CB 3.86Å; F229-M244 HydrophobicContact CB-CB 3.83Å; F229-M244 HydrophobicContact CB-CE 4.14Å; F229-M244 HydrophobicContact CB-CG 4.13Å; F229-M244 HydrophobicContact CD1-CE 4.3Å
230V86.7Confident82.7Confident60 Ų6070.6 Ų70.636%0.36438%0.378SS..EExtended strand (participates in β ladder)trans-101.9134.4179.6-169.70000109.3P228 D232 N235 K236 R237P228-V230 PolarHBondContact O-N 3.01Å; V230-D232 PolarHBondContact O-N 2.96Å; V230-N235 HydrophobicContact CG1-CB 4.37Å; V230-K236 CarbonylContact C-O 3.59Å; V230-K236 WeakPolarHBondContact CA-O 3.15Å; V230-R237 HydrophobicContact CG1-CG 4.44Å; V230-R237 HydrophobicContact CG2-CG 3.93Å
231C84.7Confident82.9Confident0 Ų071.5 Ų71.50%038%0.382CS..  trans-70.9122.9168.7178.60000109.3V233 N235 K236 F238 H247 H251C231-V233 VanDerWaalsContact C-N 3.26Å; C231-V233 PolarHBondContact O-N 3.26Å; C231-V233 PolarHBondContact SG-N 3.42Å; C231-N235 WeakPolarHBondContact O-CA 3.14Å; C231-N235 PolarHBondContact O-N 2.77Å; C231-K236 PolarHBondContact N-O 2.95Å; C231-F238 HydrophobicContact CB-CE2 4.09Å; C231-H247 PolarHBondContact SG-CD2 3.44Å; C231-H247 PolarHBondContact SG-NE2 3.29Å; C231-H251 VanDerWaalsContact SG-CD2 3.54Å
232D83.2Confident82.9Confident95 Ų9572.8 Ų72.851%0.50840%0.399SS..THydrogen-bonded Turntrans-57.9-3317346.7-2.4000113.5V230 R248V230-D232 PolarHBondContact O-N 2.96Å; D232-R248 WeakPolarHBondContact OD1-CD 3.26Å; D232-R248 WeakPolarHBondContact OD1-CG 3.5Å; D232-R248 WeakPolarHBondContact OD2-CD 3.23Å; D232-R248 IonicContact OD2-NH1 3.73Å; D232-R248 PolarHBondContact OD2-NH1 3.35Å
233V77.5Confident83.1Confident84 Ų8472.5 Ų72.551%0.50939%0.389SS..THydrogen-bonded Turntrans-85.3-34.9-174.7-171.80000114C231 H251C231-V233 VanDerWaalsContact C-N 3.26Å; C231-V233 PolarHBondContact O-N 3.26Å; C231-V233 PolarHBondContact SG-N 3.42Å; V233-H251 HydrophobicContact CB-CB 3.83Å; V233-H251 HydrophobicContact CG1-CB 3.79Å; V233-H251 VanDerWaalsContact CG1-ND1 3.31Å; V233-H251 WeakPolarHBondContact CG1-ND1 3.43Å; V233-H251 HydrophobicContact CG2-CB 3.83Å
234C82.2Confident83.3Confident44 Ų4470.7 Ų70.730%0.29738%0.381SS..THydrogen-bonded Turntrans-1287.2-179.672.40000115.1K236 H247 H251C234-K236 PolarHBondContact O-N 3.36Å; C234-K236 WeakPolarHBondContact SG-CG 3.47Å; C234-H247 VanDerWaalsContact SG-CE1 3.59Å; C234-H247 PolarHBondContact SG-NE2 3.25Å; C234-H251 PolarHBondContact SG-NE2 3.15Å
235N83.3Confident83.4Confident122 Ų12273.4 Ų73.465%0.65239%0.386SS*.  trans57.216.5-179.8-61.4-55.6000114.8V230 C231V230-N235 HydrophobicContact CG1-CB 4.37Å; C231-N235 WeakPolarHBondContact O-CA 3.14Å; C231-N235 PolarHBondContact O-N 2.77Å
236K81.6Confident83.5Confident102 Ų10275.3 Ų75.344%0.44339%0.387SS..  trans-71.7133173.8-75.9-172.9-178.9-155.40110.4V230 C231 C234 F238V230-K236 CarbonylContact C-O 3.59Å; V230-K236 WeakPolarHBondContact CA-O 3.15Å; C231-K236 PolarHBondContact N-O 2.95Å; C234-K236 PolarHBondContact O-N 3.36Å; C234-K236 WeakPolarHBondContact SG-CG 3.47Å; K236-F238 HydrophobicContact CB-CE2 3.81Å; K236-F238 HydrophobicContact CB-CZ 4Å; K236-F238 WeakPolarHBondContact O-CD2 3.12Å; K236-F238 VanDerWaalsContact O-CE2 3.28Å; K236-F238 WeakPolarHBondContact O-CE2 3.45Å
237R85.6Confident83.5Confident155 Ų15570.6 Ų70.659%0.58537%0.366SS*.EExtended strand (participates in β ladder)trans-93.3141.1179.6-46.3-17374.4152.54.8110.8K227 F229 V230K227-R237 HydrophobicContact CB-CB 3.59Å; K227-R237 HydrophobicContact CD-CB 4.32Å; K227-R237 VanDerWaalsContact CD-O 3.32Å; K227-R237 WeakPolarHBondContact CD-O 3.12Å; K227-R237 PolarHBondContact O-NE 3.05Å; K227-R237 VanDerWaalsContact O-NE 3.13Å; F229-R237 CarbonylContact O-C 3.56Å; F229-R237 VanDerWaalsContact O-CA 3.28Å; F229-R237 WeakPolarHBondContact O-CA 3.39Å; V230-R237 HydrophobicContact CG1-CG 4.44Å; V230-R237 HydrophobicContact CG2-CG 3.93Å
238F86.3Confident83.1Confident18 Ų1871.5 Ų71.58%0.07937%0.367CS..EExtended strand (participates in β ladder)trans-130.6150.3-179.3-61.2-87.9000110.7K227 P228 F229 C231 K236 N243 M244 H247K227-F238 CarbonylContact C-O 3.48Å; K227-F238 WeakPolarHBondContact CA-O 3.3Å; P228-F238 WeakPolarHBondContact CD-O 3.3Å; F229-F238 HydrophobicContact CB-CB 4.43Å; F229-F238 PolarHBondContact N-O 2.76Å; F229-F238 VanDerWaalsContact N-O 3.09Å; F229-F238 PolarHBondContact O-N 2.79Å; C231-F238 HydrophobicContact CB-CE2 4.09Å; K236-F238 HydrophobicContact CB-CE2 3.81Å; K236-F238 HydrophobicContact CB-CZ 4Å; K236-F238 WeakPolarHBondContact O-CD2 3.12Å; K236-F238 VanDerWaalsContact O-CE2 3.28Å; K236-F238 WeakPolarHBondContact O-CE2 3.45Å; F238-N243 HydrophobicContact CD1-CB 4.26Å; F238-M244 HydrophobicContact CB-CB 3.98Å; F238-M244 HydrophobicContact CD2-CB 3.65Å; F238-M244 HydrophobicContact CD2-CG 3.97Å; F238-M244 HydrophobicContact CE2-CB 4.49Å; F238-M244 HydrophobicContact CG-CB 3.97Å; F238-H247 HydrophobicContact CE1-CB 4.03Å; F238-H247 HydrophobicContact CE2-CB 4.03Å; F238-H247 AromaticContact CE2-CD2 3.36Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.4Å; F238-H247 AromaticContact CE2-CG 3.61Å; F238-H247 AromaticContact CE2-NE2 3.81Å; F238-H247 HydrophobicContact CZ-CB 3.6Å; F238-H247 AromaticContact CZ-CD2 3.41Å; F238-H247 VanDerWaalsContact CZ-CD2 3.41Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.4Å; F238-H247 AromaticContact CZ-CE1 3.75Å; F238-H247 AromaticContact CZ-CG 3.18Å; F238-H247 AromaticContact CZ-ND1 3.43Å; F238-H247 WeakPolarHBondContact CZ-ND1 3.38Å; F238-H247 AromaticContact CZ-NE2 3.73Å
239A84.9Confident82.8Confident26 Ų2671.4 Ų71.422%0.21536%0.362CS..SBendtrans-79-18.3178.400000113.9R221R221-A239 HydrophobicContact CB-CB 4.34Å; R221-A239 WeakPolarHBondContact CD-O 3.28Å; R221-A239 PolarHBondContact NH1-O 2.91Å
240Q85.4Confident81.9Confident68 Ų6873.2 Ų73.232%0.31837%0.368SS..SBendtrans-133.1138.5-176.3-53.5-174.8-14.600110.8H218 A242 N243 M244H218-Q240 HydrophobicContact CB-CG 4.44Å; Q240-A242 VanDerWaalsContact C-N 3.33Å; Q240-A242 PolarHBondContact O-N 3.5Å; Q240-N243 HydrophobicContact CB-CB 4.33Å; Q240-N243 PolarHBondContact O-N 3.39Å; Q240-N243 PolarHBondContact OE1-ND2 2.92Å; Q240-M244 PolarHBondContact O-N 3.26Å; Q240-M244 VanDerWaalsContact O-N 3.13Å
241K85Confident81.1Confident119 Ų11972 Ų7252%0.51736%0.358SS..Hα-helixtrans-58.1-43177.4-168.2178.1178-176.80111.4F229 N243 M244 K245F229-K241 HydrophobicContact CD1-CB 3.88Å; F229-K241 HydrophobicContact CD1-CG 4.16Å; F229-K241 HydrophobicContact CD2-CB 4.48Å; F229-K241 VanDerWaalsContact CD2-N 3.3Å; F229-K241 HydrophobicContact CE1-CB 3.65Å; F229-K241 HydrophobicContact CE1-CD 4.37Å; F229-K241 HydrophobicContact CE1-CG 4.06Å; F229-K241 HydrophobicContact CE2-CB 4.28Å; F229-K241 HydrophobicContact CG-CB 4.29Å; F229-K241 HydrophobicContact CZ-CB 3.86Å; K241-N243 VanDerWaalsContact C-N 3.33Å; K241-N243 PolarHBondContact O-N 3.41Å; K241-M244 HydrophobicContact CG-CE 4.2Å; K241-M244 CarbonylContact O-C 3.55Å; K241-M244 PolarHBondContact O-N 3Å; K241-K245 WeakPolarHBondContact O-CB 3.32Å; K241-K245 PolarHBondContact O-N 3.44Å
242A82.6Confident80.2Confident61 Ų6177 Ų7750%0.50438%0.384SS..Hα-helixtrans-60.3-39.2177.900000113.3Q240 K245 T246Q240-A242 VanDerWaalsContact C-N 3.33Å; Q240-A242 PolarHBondContact O-N 3.5Å; A242-K245 PolarHBondContact O-N 2.82Å; A242-T246 WeakPolarHBondContact O-CG2 3.4Å; A242-T246 PolarHBondContact O-N 3.4Å; A242-T246 PolarHBondContact O-OG1 3.29Å
243N82.4Confident79Confident61 Ų6177.2 Ų77.233%0.32638%0.382SS..Hα-helixtrans-70.6-37.8177.1-67.2-13.3000111.5F238 Q240 K241 T246 H247F238-N243 HydrophobicContact CD1-CB 4.26Å; Q240-N243 HydrophobicContact CB-CB 4.33Å; Q240-N243 PolarHBondContact O-N 3.39Å; Q240-N243 PolarHBondContact OE1-ND2 2.92Å; K241-N243 VanDerWaalsContact C-N 3.33Å; K241-N243 PolarHBondContact O-N 3.41Å; N243-T246 WeakPolarHBondContact CA-OG1 3.29Å; N243-T246 PolarHBondContact O-OG1 3.08Å; N243-H247 WeakPolarHBondContact O-CB 3.26Å; N243-H247 PolarHBondContact O-N 3.01Å
244M85.7Confident77.9Confident32 Ų3280 Ų8016%0.15838%0.383CS..Hα-helixtrans-65.8-42.7171.9176.8-86.6-68.500111.5F229 F238 Q240 K241 H247 R248F229-M244 HydrophobicContact CB-CB 3.83Å; F229-M244 HydrophobicContact CB-CE 4.14Å; F229-M244 HydrophobicContact CB-CG 4.13Å; F229-M244 HydrophobicContact CD1-CE 4.3Å; F238-M244 HydrophobicContact CB-CB 3.98Å; F238-M244 HydrophobicContact CD2-CB 3.65Å; F238-M244 HydrophobicContact CD2-CG 3.97Å; F238-M244 HydrophobicContact CE2-CB 4.49Å; F238-M244 HydrophobicContact CG-CB 3.97Å; Q240-M244 PolarHBondContact O-N 3.26Å; Q240-M244 VanDerWaalsContact O-N 3.13Å; K241-M244 HydrophobicContact CG-CE 4.2Å; K241-M244 CarbonylContact O-C 3.55Å; K241-M244 PolarHBondContact O-N 3Å; M244-H247 CarbonylContact O-C 3.5Å; M244-H247 WeakPolarHBondContact O-CB 3.27Å; M244-H247 PolarHBondContact O-N 3.13Å; M244-R248 WeakPolarHBondContact O-CB 3.49Å; M244-R248 PolarHBondContact O-N 2.84Å
245K83.2Confident76.6Confident133 Ų13385.4 Ų85.458%0.57841%0.409SS*.Hα-helixtrans-63-48.4178.6-171174.5-176.8175.80111.6K241 A242 H247 R248 N249K241-K245 WeakPolarHBondContact O-CB 3.32Å; K241-K245 PolarHBondContact O-N 3.44Å; A242-K245 PolarHBondContact O-N 2.82Å; K245-H247 VanDerWaalsContact C-N 3.27Å; K245-H247 PolarHBondContact O-N 2.98Å; K245-R248 PolarHBondContact O-N 3.03Å; K245-N249 PolarHBondContact O-N 2.9Å; K245-N249 PolarHBondContact O-OD1 3.18Å
246T79.6Confident75.5Confident89 Ų8985.4 Ų85.455%0.54640%0.403SS..Hα-helixtrans-61.8-36.9174.549.30000112.1A242 N243 R250A242-T246 WeakPolarHBondContact O-CG2 3.4Å; A242-T246 PolarHBondContact O-N 3.4Å; A242-T246 PolarHBondContact O-OG1 3.29Å; N243-T246 WeakPolarHBondContact CA-OG1 3.29Å; N243-T246 PolarHBondContact O-OG1 3.08Å; T246-R250 PolarHBondContact O-N 3.47Å
247H81.1Confident75Confident15 Ų1584.6 Ų84.67%0.06940%0.403CS..Hα-helixtrans-67.5-41.3172.8169.286000113.2C231 C234 F238 N243 M244 K245 R250 H251C231-H247 PolarHBondContact SG-CD2 3.44Å; C231-H247 PolarHBondContact SG-NE2 3.29Å; C234-H247 VanDerWaalsContact SG-CE1 3.59Å; C234-H247 PolarHBondContact SG-NE2 3.25Å; F238-H247 HydrophobicContact CE1-CB 4.03Å; F238-H247 HydrophobicContact CE2-CB 4.03Å; F238-H247 AromaticContact CE2-CD2 3.36Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.4Å; F238-H247 AromaticContact CE2-CG 3.61Å; F238-H247 AromaticContact CE2-NE2 3.81Å; F238-H247 HydrophobicContact CZ-CB 3.6Å; F238-H247 AromaticContact CZ-CD2 3.41Å; F238-H247 VanDerWaalsContact CZ-CD2 3.41Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.4Å; F238-H247 AromaticContact CZ-CE1 3.75Å; F238-H247 AromaticContact CZ-CG 3.18Å; F238-H247 AromaticContact CZ-ND1 3.43Å; F238-H247 WeakPolarHBondContact CZ-ND1 3.38Å; F238-H247 AromaticContact CZ-NE2 3.73Å; N243-H247 WeakPolarHBondContact O-CB 3.26Å; N243-H247 PolarHBondContact O-N 3.01Å; M244-H247 CarbonylContact O-C 3.5Å; M244-H247 WeakPolarHBondContact O-CB 3.27Å; M244-H247 PolarHBondContact O-N 3.13Å; K245-H247 VanDerWaalsContact C-N 3.27Å; K245-H247 PolarHBondContact O-N 2.98Å; H247-R250 PolarHBondContact CE1-NH2 3.05Å; H247-R250 PolarHBondContact ND1-NH2 2.85Å; H247-R250 VanDerWaalsContact O-CB 3.24Å; H247-R250 WeakPolarHBondContact O-CB 3.03Å; H247-R250 PolarHBondContact O-N 3.13Å; H247-R250 VanDerWaalsContact O-N 3.13Å; H247-H251 AromaticContact CD2-CD2 3.93Å; H247-H251 AromaticContact CE1-CD2 4Å; H247-H251 AromaticContact CE1-NE2 3.45Å; H247-H251 PolarHBondContact CE1-NE2 2.8Å; H247-H251 AromaticContact NE2-CD2 3.52Å; H247-H251 AromaticContact NE2-NE2 3.15Å; H247-H251 PolarHBondContact NE2-NE2 3.44Å; H247-H251 VanDerWaalsContact NE2-NE2 3.15Å; H247-H251 PolarHBondContact O-N 2.94Å
248R76.5Confident74.3Confident99 Ų9978.7 Ų78.737%0.37438%0.381SS..Hα-helixtrans-64.5-41.7175.5-171.917988167.84.5111D232 M244 K245 R250 H251 I252D232-R248 WeakPolarHBondContact OD1-CD 3.26Å; D232-R248 WeakPolarHBondContact OD1-CG 3.5Å; D232-R248 WeakPolarHBondContact OD2-CD 3.23Å; D232-R248 IonicContact OD2-NH1 3.73Å; D232-R248 PolarHBondContact OD2-NH1 3.35Å; M244-R248 WeakPolarHBondContact O-CB 3.49Å; M244-R248 PolarHBondContact O-N 2.84Å; K245-R248 PolarHBondContact O-N 3.03Å; R248-R250 PolarHBondContact O-N 2.81Å; R248-H251 WeakPolarHBondContact O-CA 3.18Å; R248-H251 VanDerWaalsContact O-CB 3.29Å; R248-H251 WeakPolarHBondContact O-CB 3.14Å; R248-H251 PolarHBondContact O-N 3.35Å; R248-I252 HydrophobicContact CG-CD1 4.48Å; R248-I252 PolarHBondContact O-N 3.06Å; R248-I252 VanDerWaalsContact O-N 3.08Å
249N76.8Confident73.6Confident63 Ų6385 Ų8534%0.33741%0.405SS..Hα-helixtrans-56.9-34.2173.7-69.3-1.3000111.2K245 H251 I252 H253K245-N249 PolarHBondContact O-N 2.9Å; K245-N249 PolarHBondContact O-OD1 3.18Å; N249-H251 VanDerWaalsContact C-N 3.31Å; N249-H251 PolarHBondContact O-N 3.21Å; N249-I252 PolarHBondContact O-N 3.45Å; N249-H253 WeakPolarHBondContact O-CB 3.37Å; N249-H253 PolarHBondContact O-CD2 3.15Å; N249-H253 PolarHBondContact O-N 3.03Å
250R65.8Low73Confident91 Ų9183.9 Ų83.934%0.34340%0.395SS..Hα-helixtrans-66.9-29173.3-167.4-176.366.5-1762.2113.3T246 H247 R248 R254T246-R250 PolarHBondContact O-N 3.47Å; H247-R250 PolarHBondContact CE1-NH2 3.05Å; H247-R250 PolarHBondContact ND1-NH2 2.85Å; H247-R250 VanDerWaalsContact O-CB 3.24Å; H247-R250 WeakPolarHBondContact O-CB 3.03Å; H247-R250 PolarHBondContact O-N 3.13Å; H247-R250 VanDerWaalsContact O-N 3.13Å; R248-R250 PolarHBondContact O-N 2.81Å; R250-R254 PolarHBondContact O-N 3.38Å
251H69.2Low72.5Confident36 Ų3687.1 Ų87.117%0.16742%0.415CS..Hα-helixtrans-69.7-44.4170.9-78.6-74.9000111.7C231 V233 C234 H247 R248 N249 H253 R254C231-H251 VanDerWaalsContact SG-CD2 3.54Å; V233-H251 HydrophobicContact CB-CB 3.83Å; V233-H251 HydrophobicContact CG1-CB 3.79Å; V233-H251 VanDerWaalsContact CG1-ND1 3.31Å; V233-H251 WeakPolarHBondContact CG1-ND1 3.43Å; V233-H251 HydrophobicContact CG2-CB 3.83Å; C234-H251 PolarHBondContact SG-NE2 3.15Å; H247-H251 AromaticContact CD2-CD2 3.93Å; H247-H251 AromaticContact CE1-CD2 4Å; H247-H251 AromaticContact CE1-NE2 3.45Å; H247-H251 PolarHBondContact CE1-NE2 2.8Å; H247-H251 AromaticContact NE2-CD2 3.52Å; H247-H251 AromaticContact NE2-NE2 3.15Å; H247-H251 PolarHBondContact NE2-NE2 3.44Å; H247-H251 VanDerWaalsContact NE2-NE2 3.15Å; H247-H251 PolarHBondContact O-N 2.94Å; R248-H251 WeakPolarHBondContact O-CA 3.18Å; R248-H251 VanDerWaalsContact O-CB 3.29Å; R248-H251 WeakPolarHBondContact O-CB 3.14Å; R248-H251 PolarHBondContact O-N 3.35Å; N249-H251 VanDerWaalsContact C-N 3.31Å; N249-H251 PolarHBondContact O-N 3.21Å; H251-H253 VanDerWaalsContact C-N 3.28Å; H251-H253 PolarHBondContact O-N 3.41Å; H251-R254 VanDerWaalsContact O-CB 3.26Å; H251-R254 WeakPolarHBondContact O-CB 3.5Å; H251-R254 PolarHBondContact O-N 3.45Å; H251-R254 VanDerWaalsContact O-N 3.07Å
252I65.9Low71.8Confident103 Ų10386 Ų8653%0.52842%0.417SS..Hα-helixtrans-63.6-36.7177.8-59.1168.5000110.7R248 N249 R254R248-I252 HydrophobicContact CG-CD1 4.48Å; R248-I252 PolarHBondContact O-N 3.06Å; R248-I252 VanDerWaalsContact O-N 3.08Å; N249-I252 PolarHBondContact O-N 3.45Å; I252-R254 VanDerWaalsContact C-N 3.31Å; I252-R254 PolarHBondContact O-N 3.19Å
253H58.1Low71.5Confident101 Ų10184.6 Ų84.647%0.46840%0.404SS..G310 helixtrans-81.6-2.3175.8-68.4-53.7000114.6N249 H251 D255 K256N249-H253 WeakPolarHBondContact O-CB 3.37Å; N249-H253 PolarHBondContact O-CD2 3.15Å; N249-H253 PolarHBondContact O-N 3.03Å; H251-H253 VanDerWaalsContact C-N 3.28Å; H251-H253 PolarHBondContact O-N 3.41Å; H253-D255 PolarHBondContact O-N 3.14Å; H253-K256 PolarHBondContact O-N 3.26Å
254R54.3Low71Confident142 Ų14287.3 Ų87.354%0.53642%0.418SS..G310 helixtrans-67.7-20.7-174.5-139.5-177.5-176-123.43112.9R250 H251 I252 K256R250-R254 PolarHBondContact O-N 3.38Å; H251-R254 VanDerWaalsContact O-CB 3.26Å; H251-R254 WeakPolarHBondContact O-CB 3.5Å; H251-R254 PolarHBondContact O-N 3.45Å; H251-R254 VanDerWaalsContact O-N 3.07Å; I252-R254 VanDerWaalsContact C-N 3.31Å; I252-R254 PolarHBondContact O-N 3.19Å; R254-K256 VanDerWaalsContact C-N 3.28Å; R254-K256 PolarHBondContact O-N 3.31Å
255D54.7Low70.3Confident157 Ų15791.5 Ų91.584%0.8444%0.436SS*.G310 helixtrans-75.5-18174.8-62-24.4000112.5H253H253-D255 PolarHBondContact O-N 3.14Å
256K60.8Low69.8Low122 Ų12287.9 Ų87.953%0.5343%0.431SS..SBendtrans-10589.4176.2-163.2169.5-175.3173.40110.1H253 R254 F258H253-K256 PolarHBondContact O-N 3.26Å; R254-K256 VanDerWaalsContact C-N 3.28Å; R254-K256 PolarHBondContact O-N 3.31Å; K256-F258 WeakPolarHBondContact O-CD2 3.47Å; K256-F258 WeakPolarHBondContact O-CE2 3.2Å; K256-F258 PolarHBondContact O-N 3.47Å
257I71.4Confident69.5Low85 Ų8585.2 Ų85.244%0.43641%0.411SS..  trans-62.2116165.7-61175.7000108R259 A266I257-R259 HydrophobicContact CG2-CG 4.1Å; I257-R259 PolarHBondContact O-N 3.1Å; I257-A266 HydrophobicContact CG2-CB 3.24Å
258F70.6Confident69.1Low31 Ų3187.7 Ų87.714%0.13643%0.43CS..EExtended strand (participates in β ladder)trans-76108.4175.4-61.5-82.7000108.3K256 F267 Y270 Y273K256-F258 WeakPolarHBondContact O-CD2 3.47Å; K256-F258 WeakPolarHBondContact O-CE2 3.2Å; K256-F258 PolarHBondContact O-N 3.47Å; F258-F267 HydrophobicContact CB-CB 4.49Å; F258-F267 PolarHBondContact N-O 3.26Å; F258-F267 WeakPolarHBondContact O-CD2 3.39Å; F258-F267 PolarHBondContact O-N 2.94Å; F258-Y270 AromaticContact CD1-CD2 3.84Å; F258-Y270 HydrophobicContact CD1-CD2 3.84Å; F258-Y270 AromaticContact CE1-CD2 3.51Å; F258-Y270 HydrophobicContact CE1-CD2 3.51Å; F258-Y270 HydrophobicContact CE1-CE2 4.3Å; F258-Y270 HydrophobicContact CE1-CG 4.32Å; F258-Y270 HydrophobicContact CE2-CD2 4.33Å; F258-Y270 HydrophobicContact CE2-CG 4.47Å; F258-Y270 HydrophobicContact CG-CD2 4.38Å; F258-Y270 AromaticContact CZ-CD2 3.78Å; F258-Y270 HydrophobicContact CZ-CD2 3.78Å; F258-Y270 HydrophobicContact CZ-CG 4.14Å; F258-Y273 HydrophobicContact CB-CD1 3.98Å; F258-Y273 HydrophobicContact CB-CD2 3.79Å; F258-Y273 HydrophobicContact CB-CE2 4.37Å; F258-Y273 HydrophobicContact CB-CG 3.54Å; F258-Y273 HydrophobicContact CD1-CD1 4.32Å; F258-Y273 HydrophobicContact CG-CD1 4.32Å; F258-Y273 HydrophobicContact CG-CG 4.26Å
259R72.3Confident68.9Low152 Ų15283.8 Ų83.857%0.57442%0.418SS*.EExtended strand (participates in β ladder)trans-94.1136.4175.4-62.5-172.8-176.8-151.62.2109.1I257 K265 A266 Y273I257-R259 HydrophobicContact CG2-CG 4.1Å; I257-R259 PolarHBondContact O-N 3.1Å; R259-K265 WeakPolarHBondContact CA-O 3.44Å; R259-A266 HydrophobicContact CG-CB 4.36Å; R259-Y273 WeakPolarHBondContact O-CE2 3.31Å
260C71.9Confident68.9Low1 Ų186.2 Ų86.21%0.00742%0.424CS..  trans-84113.5169.1176.10000108.8T262 C263 N264 K265 F267 Y273C260-T262 PolarHBondContact O-N 3.45Å; C260-T262 PolarHBondContact SG-OG1 3.44Å; C260-C263 WeakPolarHBondContact CB-SG 3.45Å; C260-C263 PolarHBondContact O-N 3.31Å; C260-C263 VanDerWaalsContact O-N 3.09Å; C260-N264 VanDerWaalsContact O-CA 3.23Å; C260-N264 WeakPolarHBondContact O-CA 3.42Å; C260-N264 PolarHBondContact O-N 3.28Å; C260-K265 PolarHBondContact N-O 3.33Å; C260-F267 HydrophobicContact CB-CE2 4.28Å; C260-Y273 HydrophobicContact CB-CE2 4.05Å
261D74.4Confident69.1Low137 Ų13787.1 Ų87.173%0.73344%0.435SS*.THydrogen-bonded Turntrans-55.7-22-177-55.7-30000113.8
262T70.3Confident69.3Low94 Ų9489.9 Ų89.958%0.57745%0.45SS*.THydrogen-bonded Turntrans-98.3-11.9-176.559.20000114.5C260 R280C260-T262 PolarHBondContact O-N 3.45Å; C260-T262 PolarHBondContact SG-OG1 3.44Å; T262-R280 PolarHBondContact O-NH1 3.41Å; T262-R280 PolarHBondContact OG1-NH1 2.92Å
263C76.3Confident69.8Low33 Ų3386.9 Ų86.922%0.22343%0.433CS..THydrogen-bonded Turntrans-127.1-6.8166.845.40000114.5C260 K265 H276 R280C260-C263 WeakPolarHBondContact CB-SG 3.45Å; C260-C263 PolarHBondContact O-N 3.31Å; C260-C263 VanDerWaalsContact O-N 3.09Å; C263-K265 HydrophobicContact CB-CB 4.47Å; C263-K265 HydrophobicContact CB-CD 4.4Å; C263-K265 HydrophobicContact CB-CG 4Å; C263-K265 PolarHBondContact O-N 3.13Å; C263-K265 VanDerWaalsContact SG-CB 3.58Å; C263-H276 PolarHBondContact SG-NE2 3.11Å; C263-R280 VanDerWaalsContact CB-NH2 3.32Å; C263-R280 VanDerWaalsContact N-NH1 3.1Å; C263-R280 PolarHBondContact SG-NH1 3.41Å
264N72.9Confident70.8Confident117 Ų11784.2 Ų84.263%0.62642%0.421SS*.  trans54.818.1-170.2-58-43.8000113.6C260 A266C260-N264 VanDerWaalsContact O-CA 3.23Å; C260-N264 WeakPolarHBondContact O-CA 3.42Å; C260-N264 PolarHBondContact O-N 3.28Å; N264-A266 PolarHBondContact O-N 3.25Å
265K70.8Confident71.8Confident120 Ų12079.3 Ų79.352%0.52241%0.412SS..  trans-70.3127.8171.7-70.3-178.4-179.2-174.40108.9R259 C260 C263 F267R259-K265 WeakPolarHBondContact CA-O 3.44Å; C260-K265 PolarHBondContact N-O 3.33Å; C263-K265 HydrophobicContact CB-CB 4.47Å; C263-K265 HydrophobicContact CB-CD 4.4Å; C263-K265 HydrophobicContact CB-CG 4Å; C263-K265 PolarHBondContact O-N 3.13Å; C263-K265 VanDerWaalsContact SG-CB 3.58Å; K265-F267 HydrophobicContact CB-CE2 3.66Å; K265-F267 HydrophobicContact CB-CZ 3.69Å; K265-F267 HydrophobicContact CD-CZ 4.35Å; K265-F267 WeakPolarHBondContact O-CD2 3.42Å; K265-F267 VanDerWaalsContact O-CE2 3.32Å; K265-F267 WeakPolarHBondContact O-CE2 3.32Å
266A71.5Confident72.8Confident57 Ų5772.7 Ų72.747%0.47138%0.375SS..EExtended strand (participates in β ladder)trans-89.5128.5176.800000110.2I257 R259 N264I257-A266 HydrophobicContact CG2-CB 3.24Å; R259-A266 HydrophobicContact CG-CB 4.36Å; N264-A266 PolarHBondContact O-N 3.25Å
267F75.1Confident73.6Confident33 Ų3369.5 Ų69.515%0.14536%0.364CS..EExtended strand (participates in β ladder)trans-118.3132.1176.7-59.3-84.6000109.9F258 C260 K265 S269 I272 Y273 H276F258-F267 HydrophobicContact CB-CB 4.49Å; F258-F267 PolarHBondContact N-O 3.26Å; F258-F267 WeakPolarHBondContact O-CD2 3.39Å; F258-F267 PolarHBondContact O-N 2.94Å; C260-F267 HydrophobicContact CB-CE2 4.28Å; K265-F267 HydrophobicContact CB-CE2 3.66Å; K265-F267 HydrophobicContact CB-CZ 3.69Å; K265-F267 HydrophobicContact CD-CZ 4.35Å; K265-F267 WeakPolarHBondContact O-CD2 3.42Å; K265-F267 VanDerWaalsContact O-CE2 3.32Å; K265-F267 WeakPolarHBondContact O-CE2 3.32Å; F267-S269 PolarHBondContact O-N 3.1Å; F267-I272 HydrophobicContact CD1-CG2 3.73Å; F267-I272 HydrophobicContact CE1-CG2 4.32Å; F267-Y273 AromaticContact CD2-CD2 3.75Å; F267-Y273 HydrophobicContact CD2-CD2 3.75Å; F267-Y273 HydrophobicContact CE2-CD2 4.3Å; F267-H276 HydrophobicContact CD1-CB 4.49Å; F267-H276 HydrophobicContact CE1-CB 3.8Å; F267-H276 AromaticContact CE1-CG 3.84Å; F267-H276 HydrophobicContact CE2-CB 4.02Å; F267-H276 AromaticContact CE2-CD2 3.22Å; F267-H276 WeakPolarHBondContact CE2-CD2 3.43Å; F267-H276 AromaticContact CE2-CG 3.54Å; F267-H276 AromaticContact CE2-NE2 3.69Å; F267-H276 HydrophobicContact CZ-CB 3.55Å; F267-H276 AromaticContact CZ-CD2 3.28Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.27Å; F267-H276 AromaticContact CZ-CE1 3.72Å; F267-H276 AromaticContact CZ-CG 3.1Å; F267-H276 AromaticContact CZ-ND1 3.42Å; F267-H276 WeakPolarHBondContact CZ-ND1 2.92Å; F267-H276 AromaticContact CZ-NE2 3.65Å
268S72.8Confident73.6Confident67 Ų6772.3 Ų72.347%0.46937%0.369SS..SBendtrans-79.5-2.3178.256.40000113.9
269S72Confident73.5Confident17 Ų1774.3 Ų74.312%0.11938%0.384CS..  trans-142.1135-179.21700000110.5F267 D271 I272 Y273F267-S269 PolarHBondContact O-N 3.1Å; S269-D271 VanDerWaalsContact C-N 3.31Å; S269-D271 PolarHBondContact O-N 3.13Å; S269-D271 PolarHBondContact OG-N 3.2Å; S269-I272 PolarHBondContact O-N 2.87Å; S269-Y273 PolarHBondContact O-N 2.78Å
270Y75Confident73.1Confident115 Ų11569.1 Ų69.145%0.45136%0.364SS..Hα-helixtrans-60.4-39.1175.4-176.9-111.7000112.3F258 I272 Y273 L274F258-Y270 AromaticContact CD1-CD2 3.84Å; F258-Y270 HydrophobicContact CD1-CD2 3.84Å; F258-Y270 AromaticContact CE1-CD2 3.51Å; F258-Y270 HydrophobicContact CE1-CD2 3.51Å; F258-Y270 HydrophobicContact CE1-CE2 4.3Å; F258-Y270 HydrophobicContact CE1-CG 4.32Å; F258-Y270 HydrophobicContact CE2-CD2 4.33Å; F258-Y270 HydrophobicContact CE2-CG 4.47Å; F258-Y270 HydrophobicContact CG-CD2 4.38Å; F258-Y270 AromaticContact CZ-CD2 3.78Å; F258-Y270 HydrophobicContact CZ-CD2 3.78Å; F258-Y270 HydrophobicContact CZ-CG 4.14Å; Y270-I272 VanDerWaalsContact C-N 3.33Å; Y270-I272 PolarHBondContact O-N 2.86Å; Y270-Y273 HydrophobicContact CD2-CD1 4.22Å; Y270-Y273 HydrophobicContact CE2-CD1 4.34Å; Y270-Y273 CarbonylContact O-C 3.6Å; Y270-Y273 WeakPolarHBondContact O-CB 3.43Å; Y270-Y273 PolarHBondContact O-N 2.83Å; Y270-L274 HydrophobicContact CD1-CD1 3.89Å; Y270-L274 HydrophobicContact CD1-CG 4.17Å; Y270-L274 HydrophobicContact CD2-CG 4.48Å; Y270-L274 HydrophobicContact CE1-CD1 3.26Å; Y270-L274 HydrophobicContact CE1-CD2 4.41Å; Y270-L274 HydrophobicContact CE1-CG 3.76Å; Y270-L274 HydrophobicContact CE2-CD1 4.44Å; Y270-L274 HydrophobicContact CE2-CD2 4.19Å; Y270-L274 HydrophobicContact CE2-CG 4.09Å; Y270-L274 WeakPolarHBondContact O-CG 3.37Å; Y270-L274 PolarHBondContact O-N 2.96Å
271D71.2Confident72.6Confident110 Ų11075.3 Ų75.359%0.58839%0.393SS*.Hα-helixtrans-66.2-37.5179.6-66.7-43.3000112.1S269 A275S269-D271 VanDerWaalsContact C-N 3.31Å; S269-D271 PolarHBondContact O-N 3.13Å; S269-D271 PolarHBondContact OG-N 3.2Å; D271-A275 VanDerWaalsContact O-CB 3.28Å; D271-A275 WeakPolarHBondContact O-CB 3.41Å; D271-A275 PolarHBondContact O-N 3.22Å
272I74.2Confident71.6Confident94 Ų9474.4 Ų74.448%0.48238%0.384SS..Hα-helixtrans-71.4-39.1176.1-56.7178.5000109.6F267 S269 Y270 A275 H276F267-I272 HydrophobicContact CD1-CG2 3.73Å; F267-I272 HydrophobicContact CE1-CG2 4.32Å; S269-I272 PolarHBondContact O-N 2.87Å; Y270-I272 VanDerWaalsContact C-N 3.33Å; Y270-I272 PolarHBondContact O-N 2.86Å; I272-A275 PolarHBondContact O-N 2.86Å; I272-H276 VanDerWaalsContact O-CB 3.24Å; I272-H276 WeakPolarHBondContact O-CB 3.49Å; I272-H276 PolarHBondContact O-N 2.94Å
273Y75.6Confident70.9Confident40 Ų4074.5 Ų74.516%0.15738%0.378CS..Hα-helixtrans-60.6-46.9172.2172.4-109.5000112.1F258 R259 C260 F267 S269 Y270 A275 H276 L277F258-Y273 HydrophobicContact CB-CD1 3.98Å; F258-Y273 HydrophobicContact CB-CD2 3.79Å; F258-Y273 HydrophobicContact CB-CE2 4.37Å; F258-Y273 HydrophobicContact CB-CG 3.54Å; F258-Y273 HydrophobicContact CD1-CD1 4.32Å; F258-Y273 HydrophobicContact CG-CD1 4.32Å; F258-Y273 HydrophobicContact CG-CG 4.26Å; R259-Y273 WeakPolarHBondContact O-CE2 3.31Å; C260-Y273 HydrophobicContact CB-CE2 4.05Å; F267-Y273 AromaticContact CD2-CD2 3.75Å; F267-Y273 HydrophobicContact CD2-CD2 3.75Å; F267-Y273 HydrophobicContact CE2-CD2 4.3Å; S269-Y273 PolarHBondContact O-N 2.78Å; Y270-Y273 HydrophobicContact CD2-CD1 4.22Å; Y270-Y273 HydrophobicContact CE2-CD1 4.34Å; Y270-Y273 CarbonylContact O-C 3.6Å; Y270-Y273 WeakPolarHBondContact O-CB 3.43Å; Y270-Y273 PolarHBondContact O-N 2.83Å; Y273-A275 PolarHBondContact O-N 3.03Å; Y273-H276 CarbonylContact O-C 3.55Å; Y273-H276 WeakPolarHBondContact O-CB 3.47Å; Y273-H276 PolarHBondContact O-N 3.09Å; Y273-L277 HydrophobicContact CD1-CD1 4.09Å; Y273-L277 HydrophobicContact CD1-CG 4.46Å; Y273-L277 HydrophobicContact CD2-CG 4.37Å; Y273-L277 HydrophobicContact CE1-CD1 3.44Å; Y273-L277 VanDerWaalsContact CE1-CD1 3.44Å; Y273-L277 HydrophobicContact CE1-CG 4.09Å; Y273-L277 HydrophobicContact CE2-CD1 4.18Å; Y273-L277 HydrophobicContact CE2-CD2 4.05Å; Y273-L277 HydrophobicContact CE2-CG 4.01Å; Y273-L277 WeakPolarHBondContact O-CG 3.37Å; Y273-L277 PolarHBondContact O-N 2.97Å
274L78.8Confident69.8Low44 Ų4475.6 Ų75.623%0.2338%0.382CS..Hα-helixtrans-66-37175.5-75.4-171.5000112.6Y270 H276 L277 R278Y270-L274 HydrophobicContact CD1-CD1 3.89Å; Y270-L274 HydrophobicContact CD1-CG 4.17Å; Y270-L274 HydrophobicContact CD2-CG 4.48Å; Y270-L274 HydrophobicContact CE1-CD1 3.26Å; Y270-L274 HydrophobicContact CE1-CD2 4.41Å; Y270-L274 HydrophobicContact CE1-CG 3.76Å; Y270-L274 HydrophobicContact CE2-CD1 4.44Å; Y270-L274 HydrophobicContact CE2-CD2 4.19Å; Y270-L274 HydrophobicContact CE2-CG 4.09Å; Y270-L274 WeakPolarHBondContact O-CG 3.37Å; Y270-L274 PolarHBondContact O-N 2.96Å; L274-H276 VanDerWaalsContact C-N 3.33Å; L274-L277 HydrophobicContact CD2-CD1 4.35Å; L274-R278 WeakPolarHBondContact O-CB 3.3Å; L274-R278 WeakPolarHBondContact O-CG 3.31Å; L274-R278 PolarHBondContact O-N 3.42Å; L274-R278 VanDerWaalsContact O-N 3.08Å; L274-R278 PolarHBondContact O-NE 3.31Å; L274-R278 VanDerWaalsContact O-NE 3.09Å
275A74.7Confident69Low40 Ų4079.2 Ų79.233%0.33139%0.387SS..Hα-helixtrans-62.4-44.5171.300000110.5D271 I272 Y273 R278 T279D271-A275 VanDerWaalsContact O-CB 3.28Å; D271-A275 WeakPolarHBondContact O-CB 3.41Å; D271-A275 PolarHBondContact O-N 3.22Å; I272-A275 PolarHBondContact O-N 2.86Å; Y273-A275 PolarHBondContact O-N 3.03Å; A275-R278 PolarHBondContact O-N 3.01Å; A275-T279 WeakPolarHBondContact O-CG2 3.5Å; A275-T279 PolarHBondContact O-N 3.12Å; A275-T279 PolarHBondContact O-OG1 2.81Å
276H77.4Confident68.1Low17 Ų1779.2 Ų79.28%0.07939%0.388CS..Hα-helixtrans-62.2-45.1176169.672000112.4C263 F267 I272 Y273 L274 R278 T279 R280C263-H276 PolarHBondContact SG-NE2 3.11Å; F267-H276 HydrophobicContact CD1-CB 4.49Å; F267-H276 HydrophobicContact CE1-CB 3.8Å; F267-H276 AromaticContact CE1-CG 3.84Å; F267-H276 HydrophobicContact CE2-CB 4.02Å; F267-H276 AromaticContact CE2-CD2 3.22Å; F267-H276 WeakPolarHBondContact CE2-CD2 3.43Å; F267-H276 AromaticContact CE2-CG 3.54Å; F267-H276 AromaticContact CE2-NE2 3.69Å; F267-H276 HydrophobicContact CZ-CB 3.55Å; F267-H276 AromaticContact CZ-CD2 3.28Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.27Å; F267-H276 AromaticContact CZ-CE1 3.72Å; F267-H276 AromaticContact CZ-CG 3.1Å; F267-H276 AromaticContact CZ-ND1 3.42Å; F267-H276 WeakPolarHBondContact CZ-ND1 2.92Å; F267-H276 AromaticContact CZ-NE2 3.65Å; I272-H276 VanDerWaalsContact O-CB 3.24Å; I272-H276 WeakPolarHBondContact O-CB 3.49Å; I272-H276 PolarHBondContact O-N 2.94Å; Y273-H276 CarbonylContact O-C 3.55Å; Y273-H276 WeakPolarHBondContact O-CB 3.47Å; Y273-H276 PolarHBondContact O-N 3.09Å; L274-H276 VanDerWaalsContact C-N 3.33Å; H276-R278 VanDerWaalsContact C-N 3.29Å; H276-R278 PolarHBondContact O-N 2.97Å; H276-T279 WeakPolarHBondContact CA-OG1 3.4Å; H276-T279 PolarHBondContact O-N 2.87Å; H276-T279 PolarHBondContact O-OG1 3.14Å; H276-T279 VanDerWaalsContact O-OG1 3.09Å; H276-R280 WeakPolarHBondContact CE1-CD 3.34Å; H276-R280 WeakPolarHBondContact NE2-CD 3.32Å; H276-R280 WeakPolarHBondContact O-CA 3.27Å; H276-R280 WeakPolarHBondContact O-CB 3.26Å; H276-R280 PolarHBondContact O-N 3.08Å
277L77.2Confident66.9Low55 Ų5581.2 Ų81.229%0.28839%0.388SS..Hα-helixtrans-59.8-40.8175.4-73.3-176000111.1Y273 L274 R280 E281Y273-L277 HydrophobicContact CD1-CD1 4.09Å; Y273-L277 HydrophobicContact CD1-CG 4.46Å; Y273-L277 HydrophobicContact CD2-CG 4.37Å; Y273-L277 HydrophobicContact CE1-CD1 3.44Å; Y273-L277 VanDerWaalsContact CE1-CD1 3.44Å; Y273-L277 HydrophobicContact CE1-CG 4.09Å; Y273-L277 HydrophobicContact CE2-CD1 4.18Å; Y273-L277 HydrophobicContact CE2-CD2 4.05Å; Y273-L277 HydrophobicContact CE2-CG 4.01Å; Y273-L277 WeakPolarHBondContact O-CG 3.37Å; Y273-L277 PolarHBondContact O-N 2.97Å; L274-L277 HydrophobicContact CD2-CD1 4.35Å; L277-R280 CarbonylContact O-C 3.5Å; L277-R280 PolarHBondContact O-N 3.37Å; L277-E281 WeakPolarHBondContact O-CG 3.47Å; L277-E281 PolarHBondContact O-N 3.34Å
278R71.4Confident65.6Low144 Ų14486.5 Ų86.554%0.54341%0.411SS..Hα-helixtrans-71.1-43.6177.7-74.3178.8-68-163.40.6113.4L274 A275 H276 R280 E281 H282L274-R278 WeakPolarHBondContact O-CB 3.3Å; L274-R278 WeakPolarHBondContact O-CG 3.31Å; L274-R278 PolarHBondContact O-N 3.42Å; L274-R278 VanDerWaalsContact O-N 3.08Å; L274-R278 PolarHBondContact O-NE 3.31Å; L274-R278 VanDerWaalsContact O-NE 3.09Å; A275-R278 PolarHBondContact O-N 3.01Å; H276-R278 VanDerWaalsContact C-N 3.29Å; H276-R278 PolarHBondContact O-N 2.97Å; R278-R280 PolarHBondContact O-N 3.23Å; R278-E281 PolarHBondContact O-N 3.26Å; R278-H282 PolarHBondContact O-N 2.77Å
279T67.7Low64.5Low73 Ų7385.8 Ų85.845%0.44841%0.409SS..Hα-helixtrans-66.4-30.1173.1590000110.3A275 H276 H282 E283A275-T279 WeakPolarHBondContact O-CG2 3.5Å; A275-T279 PolarHBondContact O-N 3.12Å; A275-T279 PolarHBondContact O-OG1 2.81Å; H276-T279 WeakPolarHBondContact CA-OG1 3.4Å; H276-T279 PolarHBondContact O-N 2.87Å; H276-T279 PolarHBondContact O-OG1 3.14Å; H276-T279 VanDerWaalsContact O-OG1 3.09Å; T279-H282 CarbonylContact O-C 3.42Å; T279-H282 WeakPolarHBondContact O-CA 3.49Å; T279-H282 VanDerWaalsContact O-CB 3.28Å; T279-H282 WeakPolarHBondContact O-CB 3.42Å; T279-H282 PolarHBondContact O-N 3.32Å; T279-E283 WeakPolarHBondContact O-CG 3.22Å; T279-E283 PolarHBondContact O-N 2.85Å
280R64Low63.2Low44 Ų4491.3 Ų91.317%0.16643%0.434CS..Hα-helixtrans-75.1-29.6171.5-93.5-157155.4-157.2-16.7114.5T262 C263 H276 L277 R278 H282 E283 L284T262-R280 PolarHBondContact O-NH1 3.41Å; T262-R280 PolarHBondContact OG1-NH1 2.92Å; C263-R280 VanDerWaalsContact CB-NH2 3.32Å; C263-R280 VanDerWaalsContact N-NH1 3.1Å; C263-R280 PolarHBondContact SG-NH1 3.41Å; H276-R280 WeakPolarHBondContact CE1-CD 3.34Å; H276-R280 WeakPolarHBondContact NE2-CD 3.32Å; H276-R280 WeakPolarHBondContact O-CA 3.27Å; H276-R280 WeakPolarHBondContact O-CB 3.26Å; H276-R280 PolarHBondContact O-N 3.08Å; L277-R280 CarbonylContact O-C 3.5Å; L277-R280 PolarHBondContact O-N 3.37Å; R278-R280 PolarHBondContact O-N 3.23Å; R280-H282 PolarHBondContact O-N 3.45Å; R280-E283 PolarHBondContact O-N 2.75Å; R280-L284 HydrophobicContact CB-CD1 4.47Å; R280-L284 WeakPolarHBondContact O-CA 3.28Å; R280-L284 WeakPolarHBondContact O-CB 3.44Å; R280-L284 WeakPolarHBondContact O-CG 3.41Å; R280-L284 PolarHBondContact O-N 2.88Å
281E62.3Low61.6Low131 Ų13190.9 Ų90.961%0.61244%0.438SS*.Hα-helixtrans-61.8-33167.6-78.7177.8173.200110L277 R278 R285L277-E281 WeakPolarHBondContact O-CG 3.47Å; L277-E281 PolarHBondContact O-N 3.34Å; R278-E281 PolarHBondContact O-N 3.26Å; E281-R285 WeakPolarHBondContact O-CB 3.17Å; E281-R285 PolarHBondContact O-N 3.41Å
282H53.6Low60.4Low117 Ų11787.2 Ų87.254%0.54242%0.423SS..Hα-helixtrans-72.1-50.9169.9-88.1-84.1000112.7R278 T279 R280 L284 R285 E286R278-H282 PolarHBondContact O-N 2.77Å; T279-H282 CarbonylContact O-C 3.42Å; T279-H282 WeakPolarHBondContact O-CA 3.49Å; T279-H282 VanDerWaalsContact O-CB 3.28Å; T279-H282 WeakPolarHBondContact O-CB 3.42Å; T279-H282 PolarHBondContact O-N 3.32Å; R280-H282 PolarHBondContact O-N 3.45Å; H282-L284 VanDerWaalsContact C-N 3.33Å; H282-L284 PolarHBondContact O-N 2.78Å; H282-R285 CarbonylContact O-C 3.42Å; H282-R285 WeakPolarHBondContact O-CB 3.47Å; H282-R285 PolarHBondContact O-N 3.45Å; H282-R285 VanDerWaalsContact O-N 3.13Å; H282-E286 WeakPolarHBondContact O-CB 3.23Å; H282-E286 VanDerWaalsContact O-CG 3.28Å; H282-E286 WeakPolarHBondContact O-CG 3.28Å; H282-E286 PolarHBondContact O-N 2.68Å
283E54Low59.2Low97 Ų9785.2 Ų85.245%0.45342%0.417SS..Hα-helixtrans-64-38.5178.6-69.6172.6-173.500110.7T279 R280 E286 H287T279-E283 WeakPolarHBondContact O-CG 3.22Å; T279-E283 PolarHBondContact O-N 2.85Å; R280-E283 PolarHBondContact O-N 2.75Å; E283-E286 CarbonylContact O-C 3.57Å; E283-E286 PolarHBondContact O-N 2.86Å; E283-H287 WeakPolarHBondContact O-CA 3.43Å; E283-H287 WeakPolarHBondContact O-CB 3.39Å; E283-H287 PolarHBondContact O-N 3.41Å
284L53.6Low58Low56 Ų5687.4 Ų87.429%0.29344%0.438SS..Hα-helixtrans-71.5-36.8172.8-71.3166.3000110.2R280 H282 E286 H287 F288R280-L284 HydrophobicContact CB-CD1 4.47Å; R280-L284 WeakPolarHBondContact O-CA 3.28Å; R280-L284 WeakPolarHBondContact O-CB 3.44Å; R280-L284 WeakPolarHBondContact O-CG 3.41Å; R280-L284 PolarHBondContact O-N 2.88Å; H282-L284 VanDerWaalsContact C-N 3.33Å; H282-L284 PolarHBondContact O-N 2.78Å; L284-E286 PolarHBondContact O-N 3.17Å; L284-H287 CarbonylContact O-C 3.49Å; L284-H287 PolarHBondContact O-N 2.85Å; L284-F288 HydrophobicContact CB-CD2 3.95Å; L284-F288 HydrophobicContact CB-CE2 4.08Å; L284-F288 HydrophobicContact CD2-CE2 4.16Å; L284-F288 WeakPolarHBondContact O-CA 3.43Å; L284-F288 WeakPolarHBondContact O-CB 3.49Å; L284-F288 WeakPolarHBondContact O-CD2 3.49Å; L284-F288 WeakPolarHBondContact O-CG 3.46Å; L284-F288 PolarHBondContact O-N 3.36Å
285R56.6Low56.6Low193 Ų19394.2 Ų94.273%0.72847%0.469SS*.Hα-helixtrans-60.2-40.8168.7-108.3-176.2158.281.13.1111.1E281 H282 A289E281-R285 WeakPolarHBondContact O-CB 3.17Å; E281-R285 PolarHBondContact O-N 3.41Å; H282-R285 CarbonylContact O-C 3.42Å; H282-R285 WeakPolarHBondContact O-CB 3.47Å; H282-R285 PolarHBondContact O-N 3.45Å; H282-R285 VanDerWaalsContact O-N 3.13Å; R285-A289 WeakPolarHBondContact O-CB 3.37Å; R285-A289 PolarHBondContact O-N 3.07Å
286E50.9Low55.8Low120 Ų12098.3 Ų98.356%0.56149%0.485SS*.Hα-helixtrans-71.9-34.6177-71.5175-175.300111.4H282 E283 L284 A289 M290H282-E286 WeakPolarHBondContact O-CB 3.23Å; H282-E286 VanDerWaalsContact O-CG 3.28Å; H282-E286 WeakPolarHBondContact O-CG 3.28Å; H282-E286 PolarHBondContact O-N 2.68Å; E283-E286 CarbonylContact O-C 3.57Å; E283-E286 PolarHBondContact O-N 2.86Å; L284-E286 PolarHBondContact O-N 3.17Å; E286-A289 CarbonylContact O-C 3.59Å; E286-A289 WeakPolarHBondContact O-CB 3.48Å; E286-A289 PolarHBondContact O-N 3.02Å; E286-M290 WeakPolarHBondContact O-CB 3.28Å; E286-M290 WeakPolarHBondContact O-CG 3.29Å; E286-M290 PolarHBondContact O-N 3.11Å
287H46.6Very low55.4Low98 Ų98100.4 Ų100.445%0.45451%0.505SS..Hα-helixtrans-85.6-27.9-178.1-149.2-92.6000111.2E283 L284 M290 M291E283-H287 WeakPolarHBondContact O-CA 3.43Å; E283-H287 WeakPolarHBondContact O-CB 3.39Å; E283-H287 PolarHBondContact O-N 3.41Å; L284-H287 CarbonylContact O-C 3.49Å; L284-H287 PolarHBondContact O-N 2.85Å; H287-M290 CarbonylContact O-C 3.46Å; H287-M290 PolarHBondContact O-N 3.19Å; H287-M291 WeakPolarHBondContact CE1-CE 3.39Å; H287-M291 WeakPolarHBondContact O-CA 3.34Å; H287-M291 WeakPolarHBondContact O-CB 3.16Å; H287-M291 WeakPolarHBondContact O-CG 3.21Å; H287-M291 PolarHBondContact O-N 2.55Å
288F47.7Very low55.3Low144 Ų14499 Ų9963%0.63250%0.498SS*.Hα-helixtrans-73.7-37.2164-80.2-67.5000109.3L284 M290 M291 A292L284-F288 HydrophobicContact CB-CD2 3.95Å; L284-F288 HydrophobicContact CB-CE2 4.08Å; L284-F288 HydrophobicContact CD2-CE2 4.16Å; L284-F288 WeakPolarHBondContact O-CA 3.43Å; L284-F288 WeakPolarHBondContact O-CB 3.49Å; L284-F288 WeakPolarHBondContact O-CD2 3.49Å; L284-F288 WeakPolarHBondContact O-CG 3.46Å; L284-F288 PolarHBondContact O-N 3.36Å; F288-M290 VanDerWaalsContact C-N 3.27Å; F288-M290 PolarHBondContact O-N 3.47Å; F288-M291 PolarHBondContact O-N 3.23Å; F288-A292 WeakPolarHBondContact O-CB 3.32Å; F288-A292 PolarHBondContact O-N 3.22Å
289A51Low55.6Low52 Ų5298 Ų9843%0.4350%0.499SS..Hα-helixtrans-64.7-31.9167.900000111.8R285 E286 I310R285-A289 WeakPolarHBondContact O-CB 3.37Å; R285-A289 PolarHBondContact O-N 3.07Å; E286-A289 CarbonylContact O-C 3.59Å; E286-A289 WeakPolarHBondContact O-CB 3.48Å; E286-A289 PolarHBondContact O-N 3.02Å; A289-I310 WeakPolarHBondContact O-CD1 3.43Å
290M44.1Very low56.1Low133 Ų13394.6 Ų94.666%0.65548%0.478SS*.Hα-helixtrans-83.8-31.8174-74.6-178.881.200112.8E286 H287 F288 S293E286-M290 WeakPolarHBondContact O-CB 3.28Å; E286-M290 WeakPolarHBondContact O-CG 3.29Å; E286-M290 PolarHBondContact O-N 3.11Å; H287-M290 CarbonylContact O-C 3.46Å; H287-M290 PolarHBondContact O-N 3.19Å; F288-M290 VanDerWaalsContact C-N 3.27Å; F288-M290 PolarHBondContact O-N 3.47Å; M290-S293 VanDerWaalsContact O-CB 3.25Å; M290-S293 WeakPolarHBondContact O-CB 3.45Å; M290-S293 PolarHBondContact O-N 3.32Å; M290-S293 PolarHBondContact O-OG 3.22Å
291M41.5Very low56.6Low106 Ų106100.8 Ų100.852%0.52251%0.514SS..Hα-helixtrans-83-20.5179.5-74.8-73.4-17500112.2H287 F288 S293 S294H287-M291 WeakPolarHBondContact CE1-CE 3.39Å; H287-M291 WeakPolarHBondContact O-CA 3.34Å; H287-M291 WeakPolarHBondContact O-CB 3.16Å; H287-M291 WeakPolarHBondContact O-CG 3.21Å; H287-M291 PolarHBondContact O-N 2.55Å; F288-M291 PolarHBondContact O-N 3.23Å; M291-S293 PolarHBondContact O-N 3.5Å; M291-S294 PolarHBondContact O-N 3.14Å; M291-S294 PolarHBondContact O-OG 2.94Å
292A45.1Very low57.1Low33 Ų3395.4 Ų95.427%0.27349%0.493SS..THydrogen-bonded Turntrans-59.3-5.3161.600000112.8F288F288-A292 WeakPolarHBondContact O-CB 3.32Å; F288-A292 PolarHBondContact O-N 3.22Å
293S49.8Very low58.5Low52 Ų5291.5 Ų91.536%0.36448%0.479SS..THydrogen-bonded Turntrans-93.5-7.2175.877.10000116.1M290 M291M290-S293 VanDerWaalsContact O-CB 3.25Å; M290-S293 WeakPolarHBondContact O-CB 3.45Å; M290-S293 PolarHBondContact O-N 3.32Å; M290-S293 PolarHBondContact O-OG 3.22Å; M291-S293 PolarHBondContact O-N 3.5Å
294S51.1Low59.8Low86 Ų8690 Ų9060%0.60148%0.483SS*.SBendtrans-93.6-31.2-173.162.20000115.9M291M291-S294 PolarHBondContact O-N 3.14Å; M291-S294 PolarHBondContact O-OG 2.94Å
295Q49.6Very low61.3Low188 Ų18890.5 Ų90.588%0.87949%0.488SS*.SBendtrans-148.1-1.5179.2-66.3-178.5-8.700116
296L57.5Low62.4Low125 Ų12585 Ų8565%0.65448%0.476SS*.SBendtrans-87.7114.5173.4-165.170.3000108.1L298L296-L298 PolarHBondContact O-N 3.41Å; L296-L298 VanDerWaalsContact O-N 3.08Å
297A67.8Low64Low61 Ų6180.9 Ų80.950%0.50446%0.456SS..  trans-58.7115.2174.500000109.1E299 T306A297-E299 PolarHBondContact O-N 3.22Å; A297-T306 HydrophobicContact CB-CG2 3.91Å
298L75.7Confident65.5Low26 Ų2682 Ų8214%0.13647%0.465CS..EExtended strand (participates in β ladder)trans-85.4105-173.5-73.5158.1000109.3L296 T306 F307 S309 I310 L313L296-L298 PolarHBondContact O-N 3.41Å; L296-L298 VanDerWaalsContact O-N 3.08Å; L298-T306 CarbonylContact O-C 3.53Å; L298-T306 WeakPolarHBondContact O-CA 3.21Å; L298-F307 HydrophobicContact CB-CB 4.45Å; L298-F307 PolarHBondContact N-O 2.64Å; L298-F307 WeakPolarHBondContact O-CD2 3.42Å; L298-F307 PolarHBondContact O-N 3.2Å; L298-S309 VanDerWaalsContact CD1-C 3.49Å; L298-I310 HydrophobicContact CD1-CB 4.27Å; L298-I310 HydrophobicContact CD1-CG1 3.44Å; L298-I310 VanDerWaalsContact CD1-CG1 3.44Å; L298-I310 VanDerWaalsContact CD1-N 3.31Å; L298-I310 HydrophobicContact CD2-CG1 4.31Å; L298-L313 HydrophobicContact CB-CB 4.43Å; L298-L313 HydrophobicContact CB-CD2 4.07Å
299E77Confident66.9Low123 Ų12376.5 Ų76.558%0.57545%0.445SS*.EExtended strand (participates in β ladder)trans-85.7135.1-177.9-71.2177.6-175.800112.7A297 L301 V305 T306A297-E299 PolarHBondContact O-N 3.22Å; E299-L301 PolarHBondContact O-N 2.9Å; E299-V305 WeakPolarHBondContact CA-O 3.43Å; E299-T306 HydrophobicContact CG-CG2 3.44Å; E299-T306 VanDerWaalsContact CG-CG2 3.44Å
300C78.9Confident68.1Low2 Ų276.7 Ų76.71%0.01444%0.438CS..  trans-70.3114.5169.8177.40000110.7G302 C303 A304 V305 F307 L313 H316 V323C300-G302 PolarHBondContact O-N 3.33Å; C300-C303 PolarHBondContact O-N 2.87Å; C300-A304 WeakPolarHBondContact O-CA 3.47Å; C300-A304 PolarHBondContact O-N 2.9Å; C300-V305 PolarHBondContact N-O 3.36Å; C300-F307 HydrophobicContact CB-CE2 4Å; C300-L313 HydrophobicContact CB-CD1 3.87Å; C300-H316 PolarHBondContact SG-CD2 3.47Å; C300-H316 PolarHBondContact SG-NE2 3.34Å; C300-V323 WeakPolarHBondContact SG-CG2 3.5Å
301L73.5Confident69.5Low174 Ų17478.4 Ų78.491%0.91144%0.439SS*.THydrogen-bonded Turntrans-53.1-20.6176.1-77.3157.8000114.9E299E299-L301 PolarHBondContact O-N 2.9Å
302G74.3Confident71.4Confident17 Ų1776.1 Ų76.118%0.17543%0.429CS..THydrogen-bonded Turntrans-89.3-47.217700000114.3C300 I322C300-G302 PolarHBondContact O-N 3.33Å; G302-I322 WeakPolarHBondContact O-CG2 3.48Å
303C82.3Confident73.2Confident35 Ų3575.9 Ų75.924%0.23642%0.422CS..THydrogen-bonded Turntrans-118.15.1-172.771.70000114.3C300 V305 H316 I322C300-C303 PolarHBondContact O-N 2.87Å; C303-V305 HydrophobicContact CB-CG2 4.39Å; C303-V305 PolarHBondContact O-N 3.36Å; C303-V305 WeakPolarHBondContact SG-CG2 3.32Å; C303-H316 PolarHBondContact SG-CE1 3.37Å; C303-H316 PolarHBondContact SG-NE2 3.23Å; C303-I322 HydrophobicContact CB-CD1 3.76Å
304A81.2Confident74.6Confident65 Ų6576.8 Ų76.854%0.53742%0.423SS..  trans53.815-176.400000115.6C300 T306C300-A304 WeakPolarHBondContact O-CA 3.47Å; C300-A304 PolarHBondContact O-N 2.9Å; A304-T306 PolarHBondContact O-N 2.83Å
305V85.2Confident76Confident68 Ų6879.2 Ų79.241%0.41242%0.423SS..  trans-70.6129.7175.6175.60000108.6E299 C300 C303 F307E299-V305 WeakPolarHBondContact CA-O 3.43Å; C300-V305 PolarHBondContact N-O 3.36Å; C303-V305 HydrophobicContact CB-CG2 4.39Å; C303-V305 PolarHBondContact O-N 3.36Å; C303-V305 WeakPolarHBondContact SG-CG2 3.32Å; V305-F307 HydrophobicContact CB-CE2 3.89Å; V305-F307 HydrophobicContact CB-CZ 3.97Å; V305-F307 HydrophobicContact CG1-CE1 4.13Å; V305-F307 HydrophobicContact CG1-CE2 3.74Å; V305-F307 HydrophobicContact CG1-CZ 3.46Å; V305-F307 VanDerWaalsContact CG1-CZ 3.46Å; V305-F307 VanDerWaalsContact O-CD2 3.29Å; V305-F307 WeakPolarHBondContact O-CD2 3.15Å; V305-F307 WeakPolarHBondContact O-CE2 3.4Å
306T80.5Confident77.5Confident77 Ų7772.1 Ų72.147%0.47239%0.39SS..EExtended strand (participates in β ladder)trans-81.6140.5177.149.10000111A297 L298 E299 A304A297-T306 HydrophobicContact CB-CG2 3.91Å; L298-T306 CarbonylContact O-C 3.53Å; L298-T306 WeakPolarHBondContact O-CA 3.21Å; E299-T306 HydrophobicContact CG-CG2 3.44Å; E299-T306 VanDerWaalsContact CG-CG2 3.44Å; A304-T306 PolarHBondContact O-N 2.83Å
307F82.9Confident78.6Confident34 Ų3467.2 Ų67.215%0.14937%0.365CS..EExtended strand (participates in β ladder)trans-125.4146176.1-63.3-83.1000110.3L298 C300 V305 S309 N312 L313 H316L298-F307 HydrophobicContact CB-CB 4.45Å; L298-F307 PolarHBondContact N-O 2.64Å; L298-F307 WeakPolarHBondContact O-CD2 3.42Å; L298-F307 PolarHBondContact O-N 3.2Å; C300-F307 HydrophobicContact CB-CE2 4Å; V305-F307 HydrophobicContact CB-CE2 3.89Å; V305-F307 HydrophobicContact CB-CZ 3.97Å; V305-F307 HydrophobicContact CG1-CE1 4.13Å; V305-F307 HydrophobicContact CG1-CE2 3.74Å; V305-F307 HydrophobicContact CG1-CZ 3.46Å; V305-F307 VanDerWaalsContact CG1-CZ 3.46Å; V305-F307 VanDerWaalsContact O-CD2 3.29Å; V305-F307 WeakPolarHBondContact O-CD2 3.15Å; V305-F307 WeakPolarHBondContact O-CE2 3.4Å; F307-S309 VanDerWaalsContact C-N 3.33Å; F307-N312 HydrophobicContact CB-CB 4.31Å; F307-N312 HydrophobicContact CD1-CB 3.84Å; F307-N312 HydrophobicContact CG-CB 4.42Å; F307-L313 HydrophobicContact CB-CB 3.97Å; F307-L313 HydrophobicContact CD2-CB 3.91Å; F307-L313 HydrophobicContact CD2-CD1 3.49Å; F307-L313 VanDerWaalsContact CD2-CD1 3.49Å; F307-L313 HydrophobicContact CD2-CG 4.32Å; F307-L313 HydrophobicContact CE2-CD1 3.93Å; F307-L313 HydrophobicContact CG-CB 4.04Å; F307-L313 HydrophobicContact CG-CD1 4.44Å; F307-H316 HydrophobicContact CD1-CB 4.46Å; F307-H316 HydrophobicContact CE1-CB 3.59Å; F307-H316 AromaticContact CE1-CG 3.88Å; F307-H316 HydrophobicContact CE2-CB 3.83Å; F307-H316 AromaticContact CE2-CD2 3.44Å; F307-H316 VanDerWaalsContact CE2-CD2 3.44Å; F307-H316 WeakPolarHBondContact CE2-CD2 3.28Å; F307-H316 AromaticContact CE2-CG 3.57Å; F307-H316 HydrophobicContact CZ-CB 3.25Å; F307-H316 AromaticContact CZ-CD2 3.43Å; F307-H316 VanDerWaalsContact CZ-CD2 3.43Å; F307-H316 WeakPolarHBondContact CZ-CD2 3.42Å; F307-H316 AromaticContact CZ-CE1 3.99Å; F307-H316 AromaticContact CZ-CG 3.04Å; F307-H316 AromaticContact CZ-ND1 3.46Å; F307-H316 WeakPolarHBondContact CZ-ND1 3.22Å
308D78.4Confident78.9Confident120 Ų12073.4 Ų73.464%0.64238%0.375SS*.SBendtrans-75.4-20.9175.758.2-13.3000113.1N312D308-N312 PolarHBondContact OD1-ND2 2.99Å
309S78.1Confident79Confident30 Ų3075.4 Ų75.421%0.2139%0.392CS..SBendtrans-143.5150.7-179.673.30000112.8L298 F307 Y311 N312 L313L298-S309 VanDerWaalsContact CD1-C 3.49Å; F307-S309 VanDerWaalsContact C-N 3.33Å; S309-Y311 PolarHBondContact O-N 3.14Å; S309-N312 PolarHBondContact O-N 3.39Å; S309-N312 VanDerWaalsContact O-N 3.14Å; S309-N312 WeakPolarHBondContact OG-CB 3.13Å; S309-N312 PolarHBondContact OG-N 3.19Å; S309-N312 VanDerWaalsContact OG-N 3.1Å; S309-N312 PolarHBondContact OG-ND2 3.04Å; S309-L313 PolarHBondContact O-N 2.92Å
310I74.5Confident79Confident55 Ų5570 Ų7028%0.28237%0.367SS..Hα-helixtrans-59-31172.8-63.1172.7000110.8A289 L298 N314A289-I310 WeakPolarHBondContact O-CD1 3.43Å; L298-I310 HydrophobicContact CD1-CB 4.27Å; L298-I310 HydrophobicContact CD1-CG1 3.44Å; L298-I310 VanDerWaalsContact CD1-CG1 3.44Å; L298-I310 VanDerWaalsContact CD1-N 3.31Å; L298-I310 HydrophobicContact CD2-CG1 4.31Å; I310-N314 VanDerWaalsContact CG2-ND2 3.32Å; I310-N314 WeakPolarHBondContact CG2-ND2 3.47Å; I310-N314 WeakPolarHBondContact O-CB 3.38Å; I310-N314 VanDerWaalsContact O-CG 3.27Å; I310-N314 PolarHBondContact O-N 3.26Å; I310-N314 PolarHBondContact O-ND2 3.35Å; I310-N314 VanDerWaalsContact O-ND2 3.16Å
311Y75.3Confident78.9Confident170 Ų17080 Ų8067%0.66741%0.405SS*.Hα-helixtrans-66.4-46.7176.6-177.9-98.3000111.7S309 N314 K315S309-Y311 PolarHBondContact O-N 3.14Å; Y311-N314 PolarHBondContact O-N 3.42Å; Y311-K315 WeakPolarHBondContact O-CB 3.43Å; Y311-K315 PolarHBondContact O-N 2.84Å
312N81.3Confident78.9Confident58 Ų5875.6 Ų75.631%0.3138%0.381SS..Hα-helixtrans-68-41.5177.6-70.4-26.4000111.5F307 D308 S309 N314 K315 H316F307-N312 HydrophobicContact CB-CB 4.31Å; F307-N312 HydrophobicContact CD1-CB 3.84Å; F307-N312 HydrophobicContact CG-CB 4.42Å; D308-N312 PolarHBondContact OD1-ND2 2.99Å; S309-N312 PolarHBondContact O-N 3.39Å; S309-N312 VanDerWaalsContact O-N 3.14Å; S309-N312 WeakPolarHBondContact OG-CB 3.13Å; S309-N312 PolarHBondContact OG-N 3.19Å; S309-N312 VanDerWaalsContact OG-N 3.1Å; S309-N312 PolarHBondContact OG-ND2 3.04Å; N312-N314 PolarHBondContact O-N 3.39Å; N312-K315 PolarHBondContact O-N 3.08Å; N312-H316 VanDerWaalsContact O-CB 3.27Å; N312-H316 WeakPolarHBondContact O-CB 3.38Å; N312-H316 PolarHBondContact O-N 3.1Å
313L82Confident78.8Confident27 Ų2775.2 Ų75.214%0.14138%0.376CS..Hα-helixtrans-58-46.6170.7176.768.8000111.2L298 C300 F307 S309 H316 T317L298-L313 HydrophobicContact CB-CB 4.43Å; L298-L313 HydrophobicContact CB-CD2 4.07Å; C300-L313 HydrophobicContact CB-CD1 3.87Å; F307-L313 HydrophobicContact CB-CB 3.97Å; F307-L313 HydrophobicContact CD2-CB 3.91Å; F307-L313 HydrophobicContact CD2-CD1 3.49Å; F307-L313 VanDerWaalsContact CD2-CD1 3.49Å; F307-L313 HydrophobicContact CD2-CG 4.32Å; F307-L313 HydrophobicContact CE2-CD1 3.93Å; F307-L313 HydrophobicContact CG-CB 4.04Å; F307-L313 HydrophobicContact CG-CD1 4.44Å; S309-L313 PolarHBondContact O-N 2.92Å; L313-H316 CarbonylContact O-C 3.51Å; L313-H316 PolarHBondContact O-N 3.36Å; L313-T317 HydrophobicContact CD1-CG2 3.78Å; L313-T317 HydrophobicContact CG-CG2 4.03Å; L313-T317 WeakPolarHBondContact O-CB 3.41Å; L313-T317 VanDerWaalsContact O-CG2 3.24Å; L313-T317 WeakPolarHBondContact O-CG2 3.18Å; L313-T317 PolarHBondContact O-N 3.49Å; L313-T317 PolarHBondContact O-OG1 2.65Å
314N78.8Confident77.9Confident71 Ų7180.3 Ų80.338%0.3839%0.39SS..Hα-helixtrans-67.7-37.5-179.5-83.2-37000112.6I310 Y311 N312 H316 T317 R318I310-N314 VanDerWaalsContact CG2-ND2 3.32Å; I310-N314 WeakPolarHBondContact CG2-ND2 3.47Å; I310-N314 WeakPolarHBondContact O-CB 3.38Å; I310-N314 VanDerWaalsContact O-CG 3.27Å; I310-N314 PolarHBondContact O-N 3.26Å; I310-N314 PolarHBondContact O-ND2 3.35Å; I310-N314 VanDerWaalsContact O-ND2 3.16Å; Y311-N314 PolarHBondContact O-N 3.42Å; N312-N314 PolarHBondContact O-N 3.39Å; N314-H316 VanDerWaalsContact C-N 3.34Å; N314-T317 VanDerWaalsContact CA-OG1 3.29Å; N314-T317 WeakPolarHBondContact CA-OG1 3.48Å; N314-T317 PolarHBondContact O-OG1 3.34Å; N314-T317 VanDerWaalsContact O-OG1 3.11Å; N314-R318 WeakPolarHBondContact O-CB 3.43Å; N314-R318 WeakPolarHBondContact O-CD 3.49Å; N314-R318 WeakPolarHBondContact O-CG 3.35Å; N314-R318 PolarHBondContact O-N 3.42Å
315K80.3Confident76.9Confident137 Ų13781.6 Ų81.660%0.59639%0.391SS*.Hα-helixtrans-63.6-43.6173.5-173178.8179.1-173.60110.5Y311 N312 S319Y311-K315 WeakPolarHBondContact O-CB 3.43Å; Y311-K315 PolarHBondContact O-N 2.84Å; N312-K315 PolarHBondContact O-N 3.08Å; K315-S319 PolarHBondContact O-N 3.2Å; K315-S319 PolarHBondContact O-OG 3.47Å
316H82.9Confident75.5Confident39 Ų3983.5 Ų83.518%0.18140%0.398CS..Hα-helixtrans-68-49.9176.717085.1000112.6C300 C303 F307 N312 L313 N314 R318 S319 C320C300-H316 PolarHBondContact SG-CD2 3.47Å; C300-H316 PolarHBondContact SG-NE2 3.34Å; C303-H316 PolarHBondContact SG-CE1 3.37Å; C303-H316 PolarHBondContact SG-NE2 3.23Å; F307-H316 HydrophobicContact CD1-CB 4.46Å; F307-H316 HydrophobicContact CE1-CB 3.59Å; F307-H316 AromaticContact CE1-CG 3.88Å; F307-H316 HydrophobicContact CE2-CB 3.83Å; F307-H316 AromaticContact CE2-CD2 3.44Å; F307-H316 VanDerWaalsContact CE2-CD2 3.44Å; F307-H316 WeakPolarHBondContact CE2-CD2 3.28Å; F307-H316 AromaticContact CE2-CG 3.57Å; F307-H316 HydrophobicContact CZ-CB 3.25Å; F307-H316 AromaticContact CZ-CD2 3.43Å; F307-H316 VanDerWaalsContact CZ-CD2 3.43Å; F307-H316 WeakPolarHBondContact CZ-CD2 3.42Å; F307-H316 AromaticContact CZ-CE1 3.99Å; F307-H316 AromaticContact CZ-CG 3.04Å; F307-H316 AromaticContact CZ-ND1 3.46Å; F307-H316 WeakPolarHBondContact CZ-ND1 3.22Å; N312-H316 VanDerWaalsContact O-CB 3.27Å; N312-H316 WeakPolarHBondContact O-CB 3.38Å; N312-H316 PolarHBondContact O-N 3.1Å; L313-H316 CarbonylContact O-C 3.51Å; L313-H316 PolarHBondContact O-N 3.36Å; N314-H316 VanDerWaalsContact C-N 3.34Å; H316-R318 PolarHBondContact O-N 3.49Å; H316-R318 VanDerWaalsContact O-N 3.15Å; H316-S319 CarbonylContact O-C 3.38Å; H316-S319 WeakPolarHBondContact O-CA 3.24Å; H316-S319 PolarHBondContact O-N 3.39Å; H316-S319 PolarHBondContact O-OG 3.34Å; H316-S319 VanDerWaalsContact O-OG 3.07Å; H316-C320 VanDerWaalsContact NE2-CB 3.34Å; H316-C320 WeakPolarHBondContact NE2-CB 3.32Å; H316-C320 PolarHBondContact NE2-SG 3.33Å; H316-C320 VanDerWaalsContact NE2-SG 3.39Å; H316-C320 WeakPolarHBondContact O-CA 3.43Å; H316-C320 WeakPolarHBondContact O-CB 3.47Å; H316-C320 PolarHBondContact O-N 3.37Å
317T80.4Confident74.1Confident23 Ų2384.8 Ų84.814%0.14140%0.399CS..Hα-helixtrans-58.9-31.2-179.8500000112L313 N314 V323L313-T317 HydrophobicContact CD1-CG2 3.78Å; L313-T317 HydrophobicContact CG-CG2 4.03Å; L313-T317 WeakPolarHBondContact O-CB 3.41Å; L313-T317 VanDerWaalsContact O-CG2 3.24Å; L313-T317 WeakPolarHBondContact O-CG2 3.18Å; L313-T317 PolarHBondContact O-N 3.49Å; L313-T317 PolarHBondContact O-OG1 2.65Å; N314-T317 VanDerWaalsContact CA-OG1 3.29Å; N314-T317 WeakPolarHBondContact CA-OG1 3.48Å; N314-T317 PolarHBondContact O-OG1 3.34Å; N314-T317 VanDerWaalsContact O-OG1 3.11Å; T317-V323 HydrophobicContact CG2-CG2 4.3Å
318R74.4Confident72.4Confident190 Ų19087.5 Ų87.572%0.71742%0.419SS*.Hα-helixtrans-69-30.6171.2-72.7173.4-167.7-172.35.5113.6N314 H316 R324N314-R318 WeakPolarHBondContact O-CB 3.43Å; N314-R318 WeakPolarHBondContact O-CD 3.49Å; N314-R318 WeakPolarHBondContact O-CG 3.35Å; N314-R318 PolarHBondContact O-N 3.42Å; H316-R318 PolarHBondContact O-N 3.49Å; H316-R318 VanDerWaalsContact O-N 3.15Å; R318-R324 PolarHBondContact O-NE 3.27Å; R318-R324 PolarHBondContact O-NH2 3.43Å
319S76.4Confident71.6Confident68 Ų6888.3 Ų88.348%0.47642%0.416SS..Hα-helixtrans-98.7-13.3177.863.30000114.2K315 H316 R321 R324K315-S319 PolarHBondContact O-N 3.2Å; K315-S319 PolarHBondContact O-OG 3.47Å; H316-S319 CarbonylContact O-C 3.38Å; H316-S319 WeakPolarHBondContact O-CA 3.24Å; H316-S319 PolarHBondContact O-N 3.39Å; H316-S319 PolarHBondContact O-OG 3.34Å; H316-S319 VanDerWaalsContact O-OG 3.07Å; S319-R321 PolarHBondContact O-N 2.9Å; S319-R324 PolarHBondContact O-NH1 3.16Å
320C77.7Confident71.3Confident10 Ų1090.3 Ų90.37%0.06842%0.422CS..  trans-72.4115.2-172.6-177.60000109.9H316 I322 V323 R324H316-C320 VanDerWaalsContact NE2-CB 3.34Å; H316-C320 WeakPolarHBondContact NE2-CB 3.32Å; H316-C320 PolarHBondContact NE2-SG 3.33Å; H316-C320 VanDerWaalsContact NE2-SG 3.39Å; H316-C320 WeakPolarHBondContact O-CA 3.43Å; H316-C320 WeakPolarHBondContact O-CB 3.47Å; H316-C320 PolarHBondContact O-N 3.37Å; C320-I322 PolarHBondContact O-N 3.31Å; C320-V323 HydrophobicContact CB-CB 3.95Å; C320-V323 HydrophobicContact CB-CG2 3.93Å; C320-V323 PolarHBondContact O-N 3.35Å; C320-R324 WeakPolarHBondContact O-CG 3.45Å; C320-R324 PolarHBondContact O-N 3.42Å
321R77.4Confident71Confident211 Ų21193.6 Ų93.680%0.79643%0.43SS*.Hα-helixtrans-55.4-40.9178.8-174.6174.7176128.3-2.4111.4S319 R324 T325S319-R321 PolarHBondContact O-N 2.9Å; R321-R324 PolarHBondContact O-N 3.48Å; R321-T325 WeakPolarHBondContact O-CG2 3.46Å; R321-T325 PolarHBondContact O-N 2.87Å; R321-T325 PolarHBondContact O-OG1 3.32Å
322I72.9Confident70.8Confident82 Ų8285.5 Ų85.542%0.42140%0.399SS..Hα-helixtrans-72.5-39.4-177.4-52.1166.9000111.5G302 C303 C320 R324 T325 L326G302-I322 WeakPolarHBondContact O-CG2 3.48Å; C303-I322 HydrophobicContact CB-CD1 3.76Å; C320-I322 PolarHBondContact O-N 3.31Å; I322-R324 VanDerWaalsContact C-N 3.32Å; I322-R324 PolarHBondContact O-N 3.03Å; I322-T325 WeakPolarHBondContact CA-OG1 3.44Å; I322-T325 PolarHBondContact O-N 3.47Å; I322-T325 PolarHBondContact O-OG1 3.26Å; I322-L326 HydrophobicContact CG2-CD1 4.26Å; I322-L326 VanDerWaalsContact O-CG 3.29Å; I322-L326 WeakPolarHBondContact O-CG 3.22Å; I322-L326 PolarHBondContact O-N 3.44Å
323V71.2Confident69.9Low10 Ų1089.2 Ų89.26%0.06142%0.418CS..Hα-helixtrans-65.4-38.2172.1175.50000110.9C300 T317 C320 T325 L326 Q327C300-V323 WeakPolarHBondContact SG-CG2 3.5Å; T317-V323 HydrophobicContact CG2-CG2 4.3Å; C320-V323 HydrophobicContact CB-CB 3.95Å; C320-V323 HydrophobicContact CB-CG2 3.93Å; C320-V323 PolarHBondContact O-N 3.35Å; V323-T325 VanDerWaalsContact C-N 3.3Å; V323-T325 PolarHBondContact O-N 2.82Å; V323-L326 CarbonylContact O-C 3.59Å; V323-L326 PolarHBondContact O-N 3.14Å; V323-L326 VanDerWaalsContact O-N 3.13Å; V323-Q327 VanDerWaalsContact CG1-CD 3.47Å; V323-Q327 HydrophobicContact CG1-CG 3.73Å; V323-Q327 VanDerWaalsContact O-CB 3.25Å; V323-Q327 WeakPolarHBondContact O-CB 3.47Å; V323-Q327 VanDerWaalsContact O-CG 3.26Å; V323-Q327 WeakPolarHBondContact O-CG 3.45Å; V323-Q327 PolarHBondContact O-N 3.45Å
324R65.1Low69Low142 Ų14289.8 Ų89.854%0.53642%0.423SS..Hα-helixtrans-64-35.1175.7-73.3-174.2-176.2129.9-15.3112.9R318 S319 C320 R321 I322 L326R318-R324 PolarHBondContact O-NE 3.27Å; R318-R324 PolarHBondContact O-NH2 3.43Å; S319-R324 PolarHBondContact O-NH1 3.16Å; C320-R324 WeakPolarHBondContact O-CG 3.45Å; C320-R324 PolarHBondContact O-N 3.42Å; R321-R324 PolarHBondContact O-N 3.48Å; I322-R324 VanDerWaalsContact C-N 3.32Å; I322-R324 PolarHBondContact O-N 3.03Å; R324-L326 VanDerWaalsContact C-N 3.34Å
325T59.4Low68.1Low91 Ų9187.2 Ų87.256%0.55841%0.411SS*.Hα-helixtrans-73.5-26.4173.552.30000112.6R321 I322 V323 T328R321-T325 WeakPolarHBondContact O-CG2 3.46Å; R321-T325 PolarHBondContact O-N 2.87Å; R321-T325 PolarHBondContact O-OG1 3.32Å; I322-T325 WeakPolarHBondContact CA-OG1 3.44Å; I322-T325 PolarHBondContact O-N 3.47Å; I322-T325 PolarHBondContact O-OG1 3.26Å; V323-T325 VanDerWaalsContact C-N 3.3Å; V323-T325 PolarHBondContact O-N 2.82Å; T325-T328 WeakPolarHBondContact O-CG2 3.27Å
326L55.8Low67.3Low108 Ų10884 Ų8457%0.56540%0.4SS*.Hα-helixtrans-84.5-29.6174.7-69.2170.4000113.1I322 V323 R324 T328I322-L326 HydrophobicContact CG2-CD1 4.26Å; I322-L326 VanDerWaalsContact O-CG 3.29Å; I322-L326 WeakPolarHBondContact O-CG 3.22Å; I322-L326 PolarHBondContact O-N 3.44Å; V323-L326 CarbonylContact O-C 3.59Å; V323-L326 PolarHBondContact O-N 3.14Å; V323-L326 VanDerWaalsContact O-N 3.13Å; R324-L326 VanDerWaalsContact C-N 3.34Å; L326-T328 PolarHBondContact O-N 3.26Å
327Q51.1Low66.5Low104 Ų10483.9 Ų83.949%0.48641%0.406SS..  trans-77.844.8175.7-74.1-178.6-3.700111.4V323 K329V323-Q327 VanDerWaalsContact CG1-CD 3.47Å; V323-Q327 HydrophobicContact CG1-CG 3.73Å; V323-Q327 VanDerWaalsContact O-CB 3.25Å; V323-Q327 WeakPolarHBondContact O-CB 3.47Å; V323-Q327 VanDerWaalsContact O-CG 3.26Å; V323-Q327 WeakPolarHBondContact O-CG 3.45Å; V323-Q327 PolarHBondContact O-N 3.45Å; Q327-K329 CarbonylContact O-C 3.28Å; Q327-K329 PolarHBondContact O-N 3.12Å
328T46.5Very low66.2Low92 Ų9289.9 Ų89.956%0.56443%0.427SS*.  trans-61.521.1171.956.50000113.9T325 L326 S340T325-T328 WeakPolarHBondContact O-CG2 3.27Å; L326-T328 PolarHBondContact O-N 3.26Å; T328-S340 WeakPolarHBondContact O-CA 3.45Å
329K61.5Low66.1Low136 Ų13681.8 Ų81.859%0.59140%0.399SS*.SBendtrans-134.883.9169-68-175.9-173174.70108Q327 R331 Y338 V339Q327-K329 CarbonylContact O-C 3.28Å; Q327-K329 PolarHBondContact O-N 3.12Å; K329-R331 PolarHBondContact O-N 3.25Å; K329-R331 VanDerWaalsContact O-N 3.14Å; K329-Y338 HydrophobicContact CB-CD1 3.78Å; K329-Y338 HydrophobicContact CB-CG 4.3Å; K329-V339 CarbonylContact C-O 3.55Å; K329-V339 VanDerWaalsContact C-O 3.28Å; K329-V339 VanDerWaalsContact CA-O 3.23Å; K329-V339 WeakPolarHBondContact CA-O 3.46Å
330F72.3Confident66Low72 Ų7281.8 Ų81.832%0.31640%0.398SS..EExtended strand (participates in β ladder)trans-49.9115.9166.5-65.7-79.4000110.5V339 S340 V342 L345F330-V339 WeakPolarHBondContact CA-O 3.23Å; F330-V339 WeakPolarHBondContact CB-O 3.45Å; F330-V339 PolarHBondContact N-O 3.37Å; F330-V339 PolarHBondContact O-N 3.2Å; F330-S340 VanDerWaalsContact CD2-O 3.31Å; F330-S340 WeakPolarHBondContact CD2-O 3.47Å; F330-S340 WeakPolarHBondContact CE2-O 3.36Å; F330-V342 HydrophobicContact CD1-CG2 4.13Å; F330-V342 HydrophobicContact CD2-CG2 4.22Å; F330-V342 HydrophobicContact CE1-CG2 3.43Å; F330-V342 VanDerWaalsContact CE1-CG2 3.43Å; F330-V342 HydrophobicContact CE2-CB 4.44Å; F330-V342 HydrophobicContact CE2-CG2 3.53Å; F330-V342 HydrophobicContact CG-CG2 4.5Å; F330-V342 HydrophobicContact CZ-CB 4.35Å; F330-V342 HydrophobicContact CZ-CG2 3.1Å; F330-L345 HydrophobicContact CB-CB 3.98Å; F330-L345 HydrophobicContact CB-CD1 4.49Å; F330-L345 HydrophobicContact CB-CD2 3.76Å; F330-L345 HydrophobicContact CB-CG 4.25Å; F330-L345 HydrophobicContact CD1-CD2 4.33Å; F330-L345 HydrophobicContact CG-CD2 4.33Å
331R69.3Low65.8Low124 Ų12485.3 Ų85.347%0.46842%0.417SS..EExtended strand (participates in β ladder)trans-85.5118.7179.4-167.7179.390.5144.2-7.2110.2K329 L333 N336 A337 Y338K329-R331 PolarHBondContact O-N 3.25Å; K329-R331 VanDerWaalsContact O-N 3.14Å; R331-L333 PolarHBondContact O-N 3.48Å; R331-N336 WeakPolarHBondContact CD-OD1 3.48Å; R331-N336 PolarHBondContact NE-OD1 3.13Å; R331-N336 PolarHBondContact NH1-OD1 3.33Å; R331-A337 WeakPolarHBondContact CA-O 3.34Å; R331-Y338 HydrophobicContact CB-CD1 4.17Å; R331-Y338 HydrophobicContact CB-CE1 4.03Å; R331-Y338 HydrophobicContact CG-CD1 4.33Å; R331-Y338 HydrophobicContact CG-CE1 4Å
332C69.9Low65.8Low1 Ų178.7 Ų78.71%0.00740%0.399CS..  trans-67.3113.5169.1179.90000109.7P334 C335 N336 A337 L345 H348 H352C332-P334 WeakPolarHBondContact SG-CD 3.48Å; C332-C335 PolarHBondContact O-N 2.97Å; C332-N336 WeakPolarHBondContact O-CA 2.88Å; C332-N336 PolarHBondContact O-N 2.99Å; C332-A337 PolarHBondContact N-O 2.96Å; C332-L345 HydrophobicContact CB-CD1 3.84Å; C332-H348 PolarHBondContact SG-CD2 3.48Å; C332-H348 PolarHBondContact SG-NE2 2.71Å; C332-H352 PolarHBondContact SG-NE2 3.11Å; C332-H352 VanDerWaalsContact SG-NE2 3.42Å
333L62Low66.1Low135 Ų13578.3 Ų78.371%0.70741%0.409SS*.THydrogen-bonded Turntrans-61.3-40.4175.8-65.1172.5000113R331 C335R331-L333 PolarHBondContact O-N 3.48Å; L333-C335 PolarHBondContact O-N 3.18Å
334P62.8Low66.5Low40 Ų4080.3 Ų80.326%0.2642%0.423SS..THydrogen-bonded Turntrans-57.8-37.4174.4-32.534.6000116.8C332 H352 I357 G367C332-P334 WeakPolarHBondContact SG-CD 3.48Å; P334-H352 HydrophobicContact CB-CB 4.41Å; P334-I357 HydrophobicContact CB-CD1 3.63Å; P334-G367 WeakPolarHBondContact O-CA 3.34Å
335C61.2Low67Low16 Ų1675.1 Ų75.111%0.10841%0.406CS..THydrogen-bonded Turntrans-127.64.1-175.473.30000116.4C332 L333 A337 H348 G367 P369C332-C335 PolarHBondContact O-N 2.97Å; L333-C335 PolarHBondContact O-N 3.18Å; C335-A337 PolarHBondContact O-N 2.98Å; C335-A337 WeakPolarHBondContact SG-CB 3.4Å; C335-A337 PolarHBondContact SG-N 3.06Å; C335-H348 VanDerWaalsContact SG-CE1 3.55Å; C335-H348 PolarHBondContact SG-NE2 3.49Å; C335-G367 CarbonylContact C-O 3.55Å; C335-G367 WeakPolarHBondContact CA-O 3.42Å; C335-G367 WeakPolarHBondContact CB-O 3.28Å; C335-P369 HydrophobicContact CB-CG 3.86Å
336N63.7Low67.9Low70 Ų7077.9 Ų77.937%0.37441%0.41SS..  trans5613-174.6-155.534000115R331 C332R331-N336 WeakPolarHBondContact CD-OD1 3.48Å; R331-N336 PolarHBondContact NE-OD1 3.13Å; R331-N336 PolarHBondContact NH1-OD1 3.33Å; C332-N336 WeakPolarHBondContact O-CA 2.88Å; C332-N336 PolarHBondContact O-N 2.99Å
337A65.9Low69Low37 Ų3775.9 Ų75.931%0.30641%0.409SS..  trans-73.3140175.500000110.9R331 C332 C335R331-A337 WeakPolarHBondContact CA-O 3.34Å; C332-A337 PolarHBondContact N-O 2.96Å; C335-A337 PolarHBondContact O-N 2.98Å; C335-A337 WeakPolarHBondContact SG-CB 3.4Å; C335-A337 PolarHBondContact SG-N 3.06Å
338Y74.3Confident70.2Confident149 Ų14973.5 Ų73.558%0.58440%0.398SS*.EExtended strand (participates in β ladder)trans-93.3122.5176.7-74.5-80.9000109.4K329 R331K329-Y338 HydrophobicContact CB-CD1 3.78Å; K329-Y338 HydrophobicContact CB-CG 4.3Å; R331-Y338 HydrophobicContact CB-CD1 4.17Å; R331-Y338 HydrophobicContact CB-CE1 4.03Å; R331-Y338 HydrophobicContact CG-CD1 4.33Å; R331-Y338 HydrophobicContact CG-CE1 4Å
339V72.6Confident71.7Confident20 Ų2071.7 Ų71.712%0.12139%0.387CS..EExtended strand (participates in β ladder)trans-120.8133.9-175.3-174.40000109K329 F330 D341 L345 H348K329-V339 CarbonylContact C-O 3.55Å; K329-V339 VanDerWaalsContact C-O 3.28Å; K329-V339 VanDerWaalsContact CA-O 3.23Å; K329-V339 WeakPolarHBondContact CA-O 3.46Å; F330-V339 WeakPolarHBondContact CA-O 3.23Å; F330-V339 WeakPolarHBondContact CB-O 3.45Å; F330-V339 PolarHBondContact N-O 3.37Å; F330-V339 PolarHBondContact O-N 3.2Å; V339-D341 PolarHBondContact O-N 3.09Å; V339-L345 HydrophobicContact CB-CB 4.48Å; V339-L345 HydrophobicContact CG2-CD1 4.43Å; V339-H348 HydrophobicContact CG2-CB 4.43Å
340S72.7Confident72.5Confident67 Ų6772.1 Ų72.147%0.46939%0.388SS..SBendtrans-63.5-40.3-174.145.20000114.1T328 F330T328-S340 WeakPolarHBondContact O-CA 3.45Å; F330-S340 VanDerWaalsContact CD2-O 3.31Å; F330-S340 WeakPolarHBondContact CD2-O 3.47Å; F330-S340 WeakPolarHBondContact CE2-O 3.36Å
341D75.1Confident72.4Confident85 Ų8571.9 Ų71.946%0.45540%0.4SS..SBendtrans-124.3151.4-166.9-44.7-61.1000112.7V339 A343 S344 L345V339-D341 PolarHBondContact O-N 3.09Å; D341-A343 VanDerWaalsContact C-N 3.33Å; D341-A343 PolarHBondContact O-N 3.5Å; D341-S344 WeakPolarHBondContact O-CB 3.15Å; D341-S344 PolarHBondContact O-N 3.36Å; D341-L345 PolarHBondContact O-N 2.85Å
342V76.8Confident72.3Confident71 Ų7167 Ų6743%0.4338%0.382SS..Hα-helixtrans-62.3-39.6177.6-175.50000111.8F330 L345 K346F330-V342 HydrophobicContact CD1-CG2 4.13Å; F330-V342 HydrophobicContact CD2-CG2 4.22Å; F330-V342 HydrophobicContact CE1-CG2 3.43Å; F330-V342 VanDerWaalsContact CE1-CG2 3.43Å; F330-V342 HydrophobicContact CE2-CB 4.44Å; F330-V342 HydrophobicContact CE2-CG2 3.53Å; F330-V342 HydrophobicContact CG-CG2 4.5Å; F330-V342 HydrophobicContact CZ-CB 4.35Å; F330-V342 HydrophobicContact CZ-CG2 3.1Å; V342-L345 PolarHBondContact O-N 3.45Å; V342-K346 PolarHBondContact O-N 2.79Å
343A79.2Confident72.3Confident75 Ų7574.6 Ų74.662%0.6242%0.417SS*.Hα-helixtrans-63.5-44.5178.100000110.8D341 L345 K346 A347D341-A343 VanDerWaalsContact C-N 3.33Å; D341-A343 PolarHBondContact O-N 3.5Å; A343-L345 VanDerWaalsContact C-N 3.35Å; A343-L345 PolarHBondContact O-N 3.34Å; A343-K346 PolarHBondContact O-N 3.43Å; A343-A347 WeakPolarHBondContact O-CB 3.39Å; A343-A347 PolarHBondContact O-N 3.24Å
344S78.4Confident72.3Confident51 Ų5171.9 Ų71.936%0.35742%0.422SS..Hα-helixtrans-62.4-39.9173.5-56.40000111.4D341 H348D341-S344 WeakPolarHBondContact O-CB 3.15Å; D341-S344 PolarHBondContact O-N 3.36Å; S344-H348 WeakPolarHBondContact O-CB 3.28Å; S344-H348 PolarHBondContact O-N 2.94Å
345L77.5Confident72.2Confident34 Ų3471.7 Ų71.718%0.17842%0.422CS..Hα-helixtrans-64.9-44.3173.9178.467.6000111.3F330 C332 V339 D341 V342 A343 H348 V349F330-L345 HydrophobicContact CB-CB 3.98Å; F330-L345 HydrophobicContact CB-CD1 4.49Å; F330-L345 HydrophobicContact CB-CD2 3.76Å; F330-L345 HydrophobicContact CB-CG 4.25Å; F330-L345 HydrophobicContact CD1-CD2 4.33Å; F330-L345 HydrophobicContact CG-CD2 4.33Å; C332-L345 HydrophobicContact CB-CD1 3.84Å; V339-L345 HydrophobicContact CB-CB 4.48Å; V339-L345 HydrophobicContact CG2-CD1 4.43Å; D341-L345 PolarHBondContact O-N 2.85Å; V342-L345 PolarHBondContact O-N 3.45Å; A343-L345 VanDerWaalsContact C-N 3.35Å; A343-L345 PolarHBondContact O-N 3.34Å; L345-H348 CarbonylContact O-C 3.44Å; L345-H348 WeakPolarHBondContact O-CB 3.16Å; L345-H348 PolarHBondContact O-N 3.15Å; L345-V349 HydrophobicContact CD1-CG2 3.87Å; L345-V349 HydrophobicContact CG-CG2 4.13Å; L345-V349 WeakPolarHBondContact O-CB 3.47Å; L345-V349 VanDerWaalsContact O-CG2 3.27Å; L345-V349 WeakPolarHBondContact O-CG2 3.39Å; L345-V349 PolarHBondContact O-N 2.95Å
346K76.8Confident72.5Confident149 Ų14977.3 Ų77.365%0.64845%0.447SS*.Hα-helixtrans-62.4-44.7177.3-79.3-176.5179.6179.80111.4V342 A343 H348 V349 K350V342-K346 PolarHBondContact O-N 2.79Å; A343-K346 PolarHBondContact O-N 3.43Å; K346-H348 VanDerWaalsContact C-N 3.31Å; K346-H348 PolarHBondContact O-N 2.84Å; K346-V349 PolarHBondContact O-N 2.95Å; K346-K350 VanDerWaalsContact O-CB 3.25Å; K346-K350 WeakPolarHBondContact O-CB 3.36Å; K346-K350 PolarHBondContact O-N 3.36Å
347A79Confident72.6Confident65 Ų6577.5 Ų77.554%0.53745%0.447SS..Hα-helixtrans-61.9-41.3173.900000111.6A343 K350 A351A343-A347 WeakPolarHBondContact O-CB 3.39Å; A343-A347 PolarHBondContact O-N 3.24Å; A347-K350 PolarHBondContact O-N 3.3Å; A347-A351 PolarHBondContact O-N 3.4Å
348H77Confident73Confident54 Ų5478.8 Ų78.825%0.2545%0.448CS..Hα-helixtrans-66.9-40.4177.4178.893.8000112.7C332 C335 V339 S344 L345 K346 A351 H352C332-H348 PolarHBondContact SG-CD2 3.48Å; C332-H348 PolarHBondContact SG-NE2 2.71Å; C335-H348 VanDerWaalsContact SG-CE1 3.55Å; C335-H348 PolarHBondContact SG-NE2 3.49Å; V339-H348 HydrophobicContact CG2-CB 4.43Å; S344-H348 WeakPolarHBondContact O-CB 3.28Å; S344-H348 PolarHBondContact O-N 2.94Å; L345-H348 CarbonylContact O-C 3.44Å; L345-H348 WeakPolarHBondContact O-CB 3.16Å; L345-H348 PolarHBondContact O-N 3.15Å; K346-H348 VanDerWaalsContact C-N 3.31Å; K346-H348 PolarHBondContact O-N 2.84Å; H348-A351 WeakPolarHBondContact O-CB 3.2Å; H348-A351 PolarHBondContact O-N 2.74Å; H348-H352 AromaticContact CD2-CD2 3.89Å; H348-H352 AromaticContact CD2-NE2 3.6Å; H348-H352 AromaticContact CE1-NE2 3.95Å; H348-H352 AromaticContact NE2-CD2 3.86Å; H348-H352 AromaticContact NE2-NE2 3.1Å; H348-H352 PolarHBondContact NE2-NE2 2.79Å; H348-H352 PolarHBondContact O-CD2 2.92Å; H348-H352 PolarHBondContact O-N 3.2Å
349V78Confident73Confident55 Ų5574.8 Ų74.833%0.33344%0.441SS..Hα-helixtrans-69.3-38.7174.1173.90000111L345 K346 A351 H352L345-V349 HydrophobicContact CD1-CG2 3.87Å; L345-V349 HydrophobicContact CG-CG2 4.13Å; L345-V349 WeakPolarHBondContact O-CB 3.47Å; L345-V349 VanDerWaalsContact O-CG2 3.27Å; L345-V349 WeakPolarHBondContact O-CG2 3.39Å; L345-V349 PolarHBondContact O-N 2.95Å; K346-V349 PolarHBondContact O-N 2.95Å; V349-A351 PolarHBondContact O-N 2.74Å; V349-H352 WeakPolarHBondContact O-CA 3.35Å; V349-H352 VanDerWaalsContact O-CB 3.26Å; V349-H352 WeakPolarHBondContact O-CB 2.96Å; V349-H352 PolarHBondContact O-N 3.28Å
350K77.7Confident73Confident145 Ų14573.9 Ų73.963%0.6344%0.436SS*.Hα-helixtrans-62.9-32.2172.4-164.4174.4-175.5178.40111.9K346 A347 H352 E353K346-K350 VanDerWaalsContact O-CB 3.25Å; K346-K350 WeakPolarHBondContact O-CB 3.36Å; K346-K350 PolarHBondContact O-N 3.36Å; A347-K350 PolarHBondContact O-N 3.3Å; K350-H352 PolarHBondContact O-N 2.76Å; K350-E353 WeakPolarHBondContact O-CB 3.47Å; K350-E353 PolarHBondContact O-N 3.38Å
351A71.4Confident73Confident67 Ų6775.8 Ų75.855%0.55445%0.447SS*.Hα-helixtrans-64.6-24.5170.600000113A347 H348 V349A347-A351 PolarHBondContact O-N 3.4Å; H348-A351 WeakPolarHBondContact O-CB 3.2Å; H348-A351 PolarHBondContact O-N 2.74Å; V349-A351 PolarHBondContact O-N 2.74Å
352H67.3Low72.6Confident21 Ų2176.1 Ų76.110%0.09745%0.452CS..Hα-helixtrans-74.1-25.1174.3-74.3-70.7000113.9C332 P334 H348 V349 K350 G354 S355C332-H352 PolarHBondContact SG-NE2 3.11Å; C332-H352 VanDerWaalsContact SG-NE2 3.42Å; P334-H352 HydrophobicContact CB-CB 4.41Å; H348-H352 AromaticContact CD2-CD2 3.89Å; H348-H352 AromaticContact CD2-NE2 3.6Å; H348-H352 AromaticContact CE1-NE2 3.95Å; H348-H352 AromaticContact NE2-CD2 3.86Å; H348-H352 AromaticContact NE2-NE2 3.1Å; H348-H352 PolarHBondContact NE2-NE2 2.79Å; H348-H352 PolarHBondContact O-CD2 2.92Å; H348-H352 PolarHBondContact O-N 3.2Å; V349-H352 WeakPolarHBondContact O-CA 3.35Å; V349-H352 VanDerWaalsContact O-CB 3.26Å; V349-H352 WeakPolarHBondContact O-CB 2.96Å; V349-H352 PolarHBondContact O-N 3.28Å; K350-H352 PolarHBondContact O-N 2.76Å; H352-G354 PolarHBondContact O-N 3.39Å; H352-S355 WeakPolarHBondContact CA-OG 3.46Å; H352-S355 PolarHBondContact ND1-OG 2.91Å; H352-S355 PolarHBondContact O-N 3.38Å
353E68.2Low72.5Confident160 Ų16075.1 Ų75.175%0.74845%0.447SS*.THydrogen-bonded Turntrans-57.9-18.4-178.8-67.2177.2172.600112.6K350K350-E353 WeakPolarHBondContact O-CB 3.47Å; K350-E353 PolarHBondContact O-N 3.38Å
354G63.6Low72Confident78 Ų7873.8 Ų73.880%0.80444%0.441SS*.THydrogen-bonded Turntrans-111.3-9.817400000116.9H352H352-G354 PolarHBondContact O-N 3.39Å
355S60.4Low71.4Confident37 Ų3776.2 Ų76.226%0.25945%0.447SS..SBendtrans-102.9123.4-172.765.80000112.6H352 I357H352-S355 WeakPolarHBondContact CA-OG 3.46Å; H352-S355 PolarHBondContact ND1-OG 2.91Å; H352-S355 PolarHBondContact O-N 3.38Å; S355-I357 PolarHBondContact O-N 2.9Å
356Q66.6Low71Confident134 Ų13484.6 Ų84.663%0.62648%0.476SS*.  trans-65.5103.4171.9-72-178.7-6.300109.7I358Q356-I358 PolarHBondContact O-N 3.04Å
357I67Low70.8Confident74 Ų7477.8 Ų77.838%0.37945%0.448SS..PPolyproline II helixtrans-70.6125.9173.7-60.5154.4000108.4P334 S355P334-I357 HydrophobicContact CB-CD1 3.63Å; S355-I357 PolarHBondContact O-N 2.9Å
358I74.2Confident70.5Confident64 Ų6475.9 Ų75.933%0.32843%0.428SS..EExtended strand (participates in β ladder)trans-103.5135.5178.5-47.7174.4000107.6Q356 F368 F371 L374Q356-I358 PolarHBondContact O-N 3.04Å; I358-F368 PolarHBondContact N-O 2.82Å; I358-F368 WeakPolarHBondContact O-CB 3.16Å; I358-F368 VanDerWaalsContact O-CD2 3.27Å; I358-F368 WeakPolarHBondContact O-CD2 3.34Å; I358-F368 PolarHBondContact O-N 3.13Å; I358-F368 VanDerWaalsContact O-N 3.11Å; I358-F371 HydrophobicContact CD1-CB 4.43Å; I358-L374 HydrophobicContact CB-CD2 4.31Å; I358-L374 HydrophobicContact CG2-CD2 3.58Å
359S73.5Confident70.1Confident64 Ų6475.8 Ų75.845%0.44843%0.432SS..EExtended strand (participates in β ladder)trans-92.2147.8173.753.10000111.2P361 E365S359-P361 WeakPolarHBondContact O-CD 3.18Å; S359-E365 CarbonylContact C-O 3.56Å; S359-E365 WeakPolarHBondContact CA-O 3.01Å
360C72.5Confident69.8Low1 Ų174.2 Ų74.21%0.00743%0.427CS..PPolyproline II helixtrans-67.6123.6173.3-177.10000110.3V362 C363 G364 E365 F368 L374 H377 H382C360-V362 PolarHBondContact O-N 2.8Å; C360-V362 PolarHBondContact SG-N 3.48Å; C360-V362 VanDerWaalsContact SG-N 3.42Å; C360-C363 WeakPolarHBondContact CB-SG 3.11Å; C360-G364 VanDerWaalsContact O-CA 3.22Å; C360-G364 WeakPolarHBondContact O-CA 3.2Å; C360-G364 PolarHBondContact O-N 3.18Å; C360-E365 PolarHBondContact N-O 3.19Å; C360-F368 HydrophobicContact CB-CE2 3.77Å; C360-F368 HydrophobicContact CB-CZ 4.49Å; C360-L374 HydrophobicContact CB-CD1 3.8Å; C360-H377 VanDerWaalsContact SG-CD2 3.54Å; C360-H377 PolarHBondContact SG-NE2 3.25Å; C360-H377 VanDerWaalsContact SG-NE2 3.45Å; C360-H382 PolarHBondContact SG-CD2 3.31Å; C360-H382 PolarHBondContact SG-NE2 3.46Å
361P73.1Confident69.8Low107 Ų10773.2 Ų73.270%0.69542%0.423SS*.THydrogen-bonded Turntrans-72-13.2178.729.1-33.6000113.1S359S359-P361 WeakPolarHBondContact O-CD 3.18Å
362V67.3Low69.9Low93 Ų9376.4 Ų76.456%0.56443%0.43SS*.THydrogen-bonded Turntrans-96.7-44.1-174-172.90000112.3C360 H382C360-V362 PolarHBondContact O-N 2.8Å; C360-V362 PolarHBondContact SG-N 3.48Å; C360-V362 VanDerWaalsContact SG-N 3.42Å; V362-H382 HydrophobicContact CB-CB 4.29Å; V362-H382 HydrophobicContact CG1-CB 3.98Å; V362-H382 VanDerWaalsContact CG1-CG 3.49Å; V362-H382 WeakPolarHBondContact CG1-ND1 3.39Å; V362-H382 HydrophobicContact CG2-CB 4.35Å
363C73.9Confident70.2Confident49 Ų4980.2 Ų80.233%0.33145%0.448SS..THydrogen-bonded Turntrans-107.3-8176.360.80000115C360 E365 H377 H382C360-C363 WeakPolarHBondContact CB-SG 3.11Å; C363-E365 PolarHBondContact O-N 3.4Å; C363-E365 VanDerWaalsContact SG-CB 3.59Å; C363-E365 VanDerWaalsContact SG-CG 3.58Å; C363-E365 PolarHBondContact SG-N 3.16Å; C363-H377 PolarHBondContact SG-NE2 2.96Å; C363-H382 PolarHBondContact SG-NE2 3.03Å
364G68.5Low70.6Confident48 Ų4873 Ų7350%0.49542%0.415SS..  trans73.72.7-176.100000115.1C360 R366C360-G364 VanDerWaalsContact O-CA 3.22Å; C360-G364 WeakPolarHBondContact O-CA 3.2Å; C360-G364 PolarHBondContact O-N 3.18Å; G364-R366 PolarHBondContact O-N 3.26Å; G364-R366 VanDerWaalsContact O-N 3.16Å
365E65.7Low71.2Confident102 Ų10272 Ų7248%0.47739%0.391SS..  trans-57122.2175.1-76.4-172.9179.200110.2S359 C360 C363 F368 H377S359-E365 CarbonylContact C-O 3.56Å; S359-E365 WeakPolarHBondContact CA-O 3.01Å; C360-E365 PolarHBondContact N-O 3.19Å; C363-E365 PolarHBondContact O-N 3.4Å; C363-E365 VanDerWaalsContact SG-CB 3.59Å; C363-E365 VanDerWaalsContact SG-CG 3.58Å; C363-E365 PolarHBondContact SG-N 3.16Å; E365-F368 HydrophobicContact CB-CE2 4.38Å; E365-H377 IonicContact OE2-CE1 3.7Å; E365-H377 PolarHBondContact OE2-CE1 3.5Å; E365-H377 IonicContact OE2-ND1 3.65Å
366R70.1Confident71.8Confident210 Ų21074.5 Ų74.579%0.79240%0.399SS*.EExtended strand (participates in β ladder)trans-90.8128174-61.8-172.7-126.7-143.71.1108.2G364G364-R366 PolarHBondContact O-N 3.26Å; G364-R366 VanDerWaalsContact O-N 3.16Å
367G71.2Confident72.3Confident6 Ų669.6 Ų69.66%0.06238%0.375CS..EExtended strand (participates in β ladder)trans139.739.5163.400000118P334 C335 P369P334-G367 WeakPolarHBondContact O-CA 3.34Å; C335-G367 CarbonylContact C-O 3.55Å; C335-G367 WeakPolarHBondContact CA-O 3.42Å; C335-G367 WeakPolarHBondContact CB-O 3.28Å; G367-P369 WeakPolarHBondContact O-CD 3.38Å
368F72.9Confident72.6Confident25 Ų2568 Ų6811%0.1137%0.367CS..EExtended strand (participates in β ladder)trans-97.2111.7170.5-55.6-74.9000109.5I358 C360 E365 G370 Q373 L374 H377I358-F368 PolarHBondContact N-O 2.82Å; I358-F368 WeakPolarHBondContact O-CB 3.16Å; I358-F368 VanDerWaalsContact O-CD2 3.27Å; I358-F368 WeakPolarHBondContact O-CD2 3.34Å; I358-F368 PolarHBondContact O-N 3.13Å; I358-F368 VanDerWaalsContact O-N 3.11Å; C360-F368 HydrophobicContact CB-CE2 3.77Å; C360-F368 HydrophobicContact CB-CZ 4.49Å; E365-F368 HydrophobicContact CB-CE2 4.38Å; F368-G370 PolarHBondContact O-N 3.23Å; F368-G370 VanDerWaalsContact O-N 3.08Å; F368-Q373 HydrophobicContact CB-CB 4.47Å; F368-Q373 HydrophobicContact CD1-CB 4.18Å; F368-L374 HydrophobicContact CB-CB 3.86Å; F368-L374 HydrophobicContact CD1-CB 4.44Å; F368-L374 HydrophobicContact CD2-CB 4.12Å; F368-L374 HydrophobicContact CD2-CD1 3.57Å; F368-L374 HydrophobicContact CD2-CG 4.42Å; F368-L374 HydrophobicContact CE2-CD1 3.81Å; F368-L374 HydrophobicContact CG-CB 3.85Å; F368-L374 HydrophobicContact CG-CD1 4.16Å; F368-H377 HydrophobicContact CD1-CB 4.26Å; F368-H377 HydrophobicContact CE1-CB 3.36Å; F368-H377 AromaticContact CE1-CG 3.64Å; F368-H377 HydrophobicContact CZ-CB 3.57Å; F368-H377 AromaticContact CZ-CD2 3.54Å; F368-H377 AromaticContact CZ-CE1 4Å; F368-H377 AromaticContact CZ-CG 3.29Å; F368-H377 AromaticContact CZ-ND1 3.61Å; F368-H377 AromaticContact CZ-NE2 3.99Å
369P69.9Low72.3Confident51 Ų5169.4 Ų69.433%0.33138%0.379SS..SBendtrans-56.9-16.7173.4-21.423.4000114.5C335 G367 Q373C335-P369 HydrophobicContact CB-CG 3.86Å; G367-P369 WeakPolarHBondContact O-CD 3.38Å; P369-Q373 VanDerWaalsContact CB-OE1 3.29Å; P369-Q373 VanDerWaalsContact CG-OE1 3.28Å
370G70.7Confident72Confident22 Ų2275.9 Ų75.923%0.22739%0.394CS..SBendtrans-165168.3174.700000114.8F368 N372 Q373 L374F368-G370 PolarHBondContact O-N 3.23Å; F368-G370 VanDerWaalsContact O-N 3.08Å; G370-N372 VanDerWaalsContact C-N 3.29Å; G370-N372 PolarHBondContact O-N 3.36Å; G370-Q373 PolarHBondContact O-N 2.96Å; G370-L374 PolarHBondContact O-N 3.03Å; G370-L374 VanDerWaalsContact O-N 3.16Å
371F77Confident71.8Confident125 Ų12578.7 Ų78.755%0.54842%0.417SS..Hα-helixtrans-58.6-34.3-176.6-175.5-110.1000113.7I358 Q373 L374 N375I358-F371 HydrophobicContact CD1-CB 4.43Å; F371-Q373 PolarHBondContact O-N 3.11Å; F371-L374 PolarHBondContact O-N 3.07Å; F371-N375 WeakPolarHBondContact CD1-ND2 3.02Å; F371-N375 WeakPolarHBondContact CE1-ND2 3.36Å; F371-N375 VanDerWaalsContact CZ-ND2 3.27Å; F371-N375 WeakPolarHBondContact CZ-ND2 3.5Å; F371-N375 WeakPolarHBondContact CZ-OD1 3.44Å; F371-N375 WeakPolarHBondContact O-CB 3.12Å; F371-N375 PolarHBondContact O-N 3.44Å
372N75.1Confident71.6Confident133 Ų13376.3 Ų76.371%0.71140%0.396SS*.Hα-helixtrans-65.6-38.6178.7-70.5-17.1000112.5G370 H376G370-N372 VanDerWaalsContact C-N 3.29Å; G370-N372 PolarHBondContact O-N 3.36Å; N372-H376 VanDerWaalsContact O-CB 3.29Å; N372-H376 WeakPolarHBondContact O-CB 3.25Å; N372-H376 PolarHBondContact O-N 3.47Å
373Q73.6Confident71.3Confident101 Ų10174.2 Ų74.247%0.47239%0.388SS..Hα-helixtrans-74.5-36.8178.5-67.71456.800110.9F368 P369 G370 F371 H376 H377F368-Q373 HydrophobicContact CB-CB 4.47Å; F368-Q373 HydrophobicContact CD1-CB 4.18Å; P369-Q373 VanDerWaalsContact CB-OE1 3.29Å; P369-Q373 VanDerWaalsContact CG-OE1 3.28Å; G370-Q373 PolarHBondContact O-N 2.96Å; F371-Q373 PolarHBondContact O-N 3.11Å; Q373-H376 PolarHBondContact O-N 3.13Å; Q373-H377 WeakPolarHBondContact O-CB 3.43Å; Q373-H377 PolarHBondContact O-N 3.25Å
374L75.5Confident70.1Confident9 Ų978.5 Ų78.55%0.04741%0.407CS..Hα-helixtrans-61.3-50170.9173.262.6000111.1I358 C360 F368 G370 F371 H376 H377 I378I358-L374 HydrophobicContact CB-CD2 4.31Å; I358-L374 HydrophobicContact CG2-CD2 3.58Å; C360-L374 HydrophobicContact CB-CD1 3.8Å; F368-L374 HydrophobicContact CB-CB 3.86Å; F368-L374 HydrophobicContact CD1-CB 4.44Å; F368-L374 HydrophobicContact CD2-CB 4.12Å; F368-L374 HydrophobicContact CD2-CD1 3.57Å; F368-L374 HydrophobicContact CD2-CG 4.42Å; F368-L374 HydrophobicContact CE2-CD1 3.81Å; F368-L374 HydrophobicContact CG-CB 3.85Å; F368-L374 HydrophobicContact CG-CD1 4.16Å; G370-L374 PolarHBondContact O-N 3.03Å; G370-L374 VanDerWaalsContact O-N 3.16Å; F371-L374 PolarHBondContact O-N 3.07Å; L374-H376 VanDerWaalsContact C-N 3.28Å; L374-H376 PolarHBondContact O-N 3.03Å; L374-H377 CarbonylContact O-C 3.42Å; L374-H377 WeakPolarHBondContact O-CA 3.26Å; L374-H377 WeakPolarHBondContact O-CB 3.49Å; L374-H377 PolarHBondContact O-N 3.02Å; L374-H377 VanDerWaalsContact O-N 3.11Å; L374-I378 HydrophobicContact CD1-CD1 3.82Å; L374-I378 HydrophobicContact CD1-CG1 3.94Å; L374-I378 HydrophobicContact CD2-CD1 4.29Å; L374-I378 HydrophobicContact CG-CD1 3.74Å; L374-I378 HydrophobicContact CG-CG1 4.26Å; L374-I378 WeakPolarHBondContact O-CG1 3.49Å; L374-I378 PolarHBondContact O-N 2.96Å
375N75.9Confident68.9Low56 Ų5685.7 Ų85.730%0.29943%0.425SS..Hα-helixtrans-60-41.5176.8-82.3-5.8000111.1F371 H377 I378 T379F371-N375 WeakPolarHBondContact CD1-ND2 3.02Å; F371-N375 WeakPolarHBondContact CE1-ND2 3.36Å; F371-N375 VanDerWaalsContact CZ-ND2 3.27Å; F371-N375 WeakPolarHBondContact CZ-ND2 3.5Å; F371-N375 WeakPolarHBondContact CZ-OD1 3.44Å; F371-N375 WeakPolarHBondContact O-CB 3.12Å; F371-N375 PolarHBondContact O-N 3.44Å; N375-H377 VanDerWaalsContact C-N 3.29Å; N375-H377 PolarHBondContact O-N 3.27Å; N375-I378 PolarHBondContact O-N 3.47Å; N375-T379 WeakPolarHBondContact O-CB 3.04Å; N375-T379 PolarHBondContact O-N 3.43Å; N375-T379 PolarHBondContact O-OG1 3.28Å
376H73.7Confident67.8Low91 Ų9186.5 Ų86.542%0.42144%0.437SS..Hα-helixtrans-60.2-41.7175.7-160.6101.5000111.5N372 Q373 L374 R380N372-H376 VanDerWaalsContact O-CB 3.29Å; N372-H376 WeakPolarHBondContact O-CB 3.25Å; N372-H376 PolarHBondContact O-N 3.47Å; Q373-H376 PolarHBondContact O-N 3.13Å; L374-H376 VanDerWaalsContact C-N 3.28Å; L374-H376 PolarHBondContact O-N 3.03Å; H376-R380 PolarHBondContact CD2-NE 3.24Å; H376-R380 PolarHBondContact CD2-NH2 3.08Å; H376-R380 WeakPolarHBondContact NE2-CD 3.19Å; H376-R380 PolarHBondContact NE2-NE 3.33Å; H376-R380 PolarHBondContact NE2-NH2 3.41Å; H376-R380 WeakPolarHBondContact O-CB 3.41Å; H376-R380 PolarHBondContact O-N 2.97Å
377H76.2Confident66.3Low30 Ų3082 Ų8214%0.13943%0.428CS..Hα-helixtrans-65.9-47.9173.8166.991.5000111.9C360 C363 E365 F368 Q373 L374 N375 T379 R380 A381 H382C360-H377 VanDerWaalsContact SG-CD2 3.54Å; C360-H377 PolarHBondContact SG-NE2 3.25Å; C360-H377 VanDerWaalsContact SG-NE2 3.45Å; C363-H377 PolarHBondContact SG-NE2 2.96Å; E365-H377 IonicContact OE2-CE1 3.7Å; E365-H377 PolarHBondContact OE2-CE1 3.5Å; E365-H377 IonicContact OE2-ND1 3.65Å; F368-H377 HydrophobicContact CD1-CB 4.26Å; F368-H377 HydrophobicContact CE1-CB 3.36Å; F368-H377 AromaticContact CE1-CG 3.64Å; F368-H377 HydrophobicContact CZ-CB 3.57Å; F368-H377 AromaticContact CZ-CD2 3.54Å; F368-H377 AromaticContact CZ-CE1 4Å; F368-H377 AromaticContact CZ-CG 3.29Å; F368-H377 AromaticContact CZ-ND1 3.61Å; F368-H377 AromaticContact CZ-NE2 3.99Å; Q373-H377 WeakPolarHBondContact O-CB 3.43Å; Q373-H377 PolarHBondContact O-N 3.25Å; L374-H377 CarbonylContact O-C 3.42Å; L374-H377 WeakPolarHBondContact O-CA 3.26Å; L374-H377 WeakPolarHBondContact O-CB 3.49Å; L374-H377 PolarHBondContact O-N 3.02Å; L374-H377 VanDerWaalsContact O-N 3.11Å; N375-H377 VanDerWaalsContact C-N 3.29Å; N375-H377 PolarHBondContact O-N 3.27Å; H377-T379 VanDerWaalsContact C-N 3.29Å; H377-T379 PolarHBondContact O-N 3.22Å; H377-R380 PolarHBondContact O-N 3.27Å; H377-A381 WeakPolarHBondContact O-CA 3.04Å; H377-A381 WeakPolarHBondContact O-CB 2.99Å; H377-A381 PolarHBondContact O-N 2.78Å; H377-H382 AromaticContact CD2-CD2 3.93Å; H377-H382 AromaticContact CD2-NE2 3.86Å; H377-H382 AromaticContact NE2-CD2 3.69Å; H377-H382 AromaticContact NE2-NE2 3.14Å; H377-H382 PolarHBondContact NE2-NE2 2.78Å; H377-H382 VanDerWaalsContact NE2-NE2 3.14Å
378I73.3Confident65.4Low41 Ų4192.6 Ų92.621%0.2147%0.467CS..Iπ-helixtrans-57.2-45.8175.6-66.1170.6000109.6L374 N375 R380 H382 A383L374-I378 HydrophobicContact CD1-CD1 3.82Å; L374-I378 HydrophobicContact CD1-CG1 3.94Å; L374-I378 HydrophobicContact CD2-CD1 4.29Å; L374-I378 HydrophobicContact CG-CD1 3.74Å; L374-I378 HydrophobicContact CG-CG1 4.26Å; L374-I378 WeakPolarHBondContact O-CG1 3.49Å; L374-I378 PolarHBondContact O-N 2.96Å; N375-I378 PolarHBondContact O-N 3.47Å; I378-R380 PolarHBondContact O-N 3.13Å; I378-H382 HydrophobicContact CG2-CB 4.15Å; I378-H382 CarbonylContact O-C 3.55Å; I378-H382 VanDerWaalsContact O-CA 3.23Å; I378-H382 WeakPolarHBondContact O-CA 3.02Å; I378-H382 VanDerWaalsContact O-CB 3.28Å; I378-H382 WeakPolarHBondContact O-CB 3.37Å; I378-H382 PolarHBondContact O-N 2.73Å; I378-A383 PolarHBondContact O-N 3.2Å
379T69.6Low64.9Low93 Ų9397 Ų9757%0.57148%0.482SS*.Iπ-helixtrans-66-38.5179-550000112.7N375 H377 A383N375-T379 WeakPolarHBondContact O-CB 3.04Å; N375-T379 PolarHBondContact O-N 3.43Å; N375-T379 PolarHBondContact O-OG1 3.28Å; H377-T379 VanDerWaalsContact C-N 3.29Å; H377-T379 PolarHBondContact O-N 3.22Å; T379-A383 HydrophobicContact CG2-CB 4.35Å
380R66.9Low65.3Low201 Ų20197.5 Ų97.576%0.75848%0.48SS*.Iπ-helixtrans-79.3-35.6178.7-79.7-157.3-85-144.7-14.5114.3H376 H377 I378H376-R380 PolarHBondContact CD2-NE 3.24Å; H376-R380 PolarHBondContact CD2-NH2 3.08Å; H376-R380 WeakPolarHBondContact NE2-CD 3.19Å; H376-R380 PolarHBondContact NE2-NE 3.33Å; H376-R380 PolarHBondContact NE2-NH2 3.41Å; H376-R380 WeakPolarHBondContact O-CB 3.41Å; H376-R380 PolarHBondContact O-N 2.97Å; H377-R380 PolarHBondContact O-N 3.27Å; I378-R380 PolarHBondContact O-N 3.13Å
381A67.5Low65.7Low60 Ų60100.2 Ų100.250%0.49649%0.492SS..Iπ-helixtrans-104.4-25.4-170.300000113.4H377H377-A381 WeakPolarHBondContact O-CA 3.04Å; H377-A381 WeakPolarHBondContact O-CB 2.99Å; H377-A381 PolarHBondContact O-N 2.78Å
382H68.8Low65.7Low57 Ų5794.3 Ų94.326%0.26447%0.466SS..Iπ-helixtrans-129.2-26.9-168.5-58.1-46.1000115.1C360 V362 C363 H377 I378 L384C360-H382 PolarHBondContact SG-CD2 3.31Å; C360-H382 PolarHBondContact SG-NE2 3.46Å; V362-H382 HydrophobicContact CB-CB 4.29Å; V362-H382 HydrophobicContact CG1-CB 3.98Å; V362-H382 VanDerWaalsContact CG1-CG 3.49Å; V362-H382 WeakPolarHBondContact CG1-ND1 3.39Å; V362-H382 HydrophobicContact CG2-CB 4.35Å; C363-H382 PolarHBondContact SG-NE2 3.03Å; H377-H382 AromaticContact CD2-CD2 3.93Å; H377-H382 AromaticContact CD2-NE2 3.86Å; H377-H382 AromaticContact NE2-CD2 3.69Å; H377-H382 AromaticContact NE2-NE2 3.14Å; H377-H382 PolarHBondContact NE2-NE2 2.78Å; H377-H382 VanDerWaalsContact NE2-NE2 3.14Å; I378-H382 HydrophobicContact CG2-CB 4.15Å; I378-H382 CarbonylContact O-C 3.55Å; I378-H382 VanDerWaalsContact O-CA 3.23Å; I378-H382 WeakPolarHBondContact O-CA 3.02Å; I378-H382 VanDerWaalsContact O-CB 3.28Å; I378-H382 WeakPolarHBondContact O-CB 3.37Å; I378-H382 PolarHBondContact O-N 2.73Å; H382-L384 VanDerWaalsContact C-N 3.31Å; H382-L384 PolarHBondContact O-N 3.44Å
383A61.3Low65.9Low48 Ų4898 Ų9840%0.39747%0.47SS..SBendtrans-74.393.317700000108.6I378 T379I378-A383 PolarHBondContact O-N 3.2Å; T379-A383 HydrophobicContact CG2-CB 4.35Å
384L49Very low65.8Low139 Ų13996.2 Ų96.273%0.72846%0.46SS*.  trans50.3108.8133.7-56.6170.8000115.2H382 V386H382-L384 VanDerWaalsContact C-N 3.31Å; H382-L384 PolarHBondContact O-N 3.44Å; L384-V386 PolarHBondContact O-N 3.09Å
385K43.2Very low65.7Low200 Ų20097.5 Ų97.587%0.8747%0.469SS*.  29.322.9113.8-112.2-169-174.6-168.30120.7
386V41.8Very low65.6Low118 Ų118100.3 Ų100.372%0.71548%0.48SS*.SBendtrans-79.4126.5147.6-149.40000103L384 R388L384-V386 PolarHBondContact O-N 3.09Å; V386-R388 PolarHBondContact O-N 3.46Å
387N39.8Very low65.9Low116 Ų11697.7 Ų97.762%0.6247%0.472SS*.  trans-31.1131.5170.4-78.7-10.1000108.7R389N387-R389 HydrophobicContact CB-CG 4.12Å; N387-R389 PolarHBondContact O-N 3.5Å
388R51.2Low65.8Low229 Ų229100.3 Ų100.386%0.86449%0.49SS*.  trans-62.260.1-177.4-69.1-178.5174-158.91.1110.6V386 H390V386-R388 PolarHBondContact O-N 3.46Å; R388-H390 PolarHBondContact O-CD2 3.5Å; R388-H390 PolarHBondContact O-N 2.94Å
389R64.1Low66.2Low117 Ų117100.3 Ų100.344%0.44249%0.489SS..  trans-74.3108.3174.5-67.2-169.5-147.8-106.96.5104.3N387 V391 T398 F399N387-R389 HydrophobicContact CB-CG 4.12Å; N387-R389 PolarHBondContact O-N 3.5Å; R389-V391 WeakPolarHBondContact O-CG2 3.03Å; R389-V391 PolarHBondContact O-N 3.03Å; R389-V391 VanDerWaalsContact O-N 3.11Å; R389-T398 HydrophobicContact CB-CG2 4.49Å; R389-F399 CarbonylContact C-O 3.55Å; R389-F399 WeakPolarHBondContact CA-O 3.42Å
390H76.8Confident66.7Low62 Ų62103.2 Ų103.229%0.28750%0.496SS..EExtended strand (participates in β ladder)trans-65.4101.4171-71.3-71.9000108.4R388 F399 I401 K402 L405R388-H390 PolarHBondContact O-CD2 3.5Å; R388-H390 PolarHBondContact O-N 2.94Å; H390-F399 HydrophobicContact CB-CB 4.2Å; H390-F399 WeakPolarHBondContact CB-O 3.31Å; H390-F399 PolarHBondContact N-O 2.93Å; H390-F399 WeakPolarHBondContact O-CB 3.32Å; H390-F399 WeakPolarHBondContact O-CD2 3.39Å; H390-F399 PolarHBondContact O-N 2.85Å; H390-I401 VanDerWaalsContact CD2-C 3.47Å; H390-K402 PolarHBondContact CD2-N 2.84Å; H390-K402 PolarHBondContact NE2-N 2.77Å; H390-L405 HydrophobicContact CB-CB 3.84Å; H390-L405 HydrophobicContact CB-CD2 3.71Å; H390-L405 HydrophobicContact CB-CG 4.34Å
391V78.7Confident67.4Low78 Ų7898.2 Ų98.247%0.47348%0.483SS..EExtended strand (participates in β ladder)trans-84.7129.1-179.2-171.80000110.3R389 R393 E396 S397 T398R389-V391 WeakPolarHBondContact O-CG2 3.03Å; R389-V391 PolarHBondContact O-N 3.03Å; R389-V391 VanDerWaalsContact O-N 3.11Å; V391-R393 PolarHBondContact O-N 2.81Å; V391-E396 HydrophobicContact CG1-CB 4.3Å; V391-E396 WeakPolarHBondContact CG1-O 3.23Å; V391-S397 CarbonylContact C-O 3.57Å; V391-S397 WeakPolarHBondContact CA-O 3.48Å; V391-T398 HydrophobicContact CG2-CG2 4.14Å
392C78.5Confident68.1Low1 Ų1101.2 Ų101.21%0.00749%0.485CS..  trans-69124172-177.80000110.6Y394 C395 E396 S397 F399 L405 H408C392-Y394 PolarHBondContact O-N 3.41Å; C392-Y394 PolarHBondContact SG-N 3.17Å; C392-Y394 VanDerWaalsContact SG-N 3.45Å; C392-C395 VanDerWaalsContact CB-SG 3.56Å; C392-E396 WeakPolarHBondContact O-CA 3.35Å; C392-E396 PolarHBondContact O-N 2.77Å; C392-S397 PolarHBondContact N-O 2.98Å; C392-F399 HydrophobicContact CB-CE2 4.09Å; C392-L405 HydrophobicContact CB-CD1 3.51Å; C392-H408 PolarHBondContact SG-CD2 2.99Å; C392-H408 PolarHBondContact SG-NE2 3.45Å; C392-H408 VanDerWaalsContact SG-NE2 3.36Å
393R77.9Confident69Low210 Ų210106.5 Ų106.579%0.79251%0.507SS*.THydrogen-bonded Turntrans-63.4-25.5178.4-180173.5174.582.76.5113.2V391V391-R393 PolarHBondContact O-N 2.81Å
394Y72.3Confident70.3Confident64 Ų64107 Ų10725%0.25150%0.503SS..THydrogen-bonded Turntrans-91.5-28.7-171.5-59.5-81.3000113.7C392 I409 H413C392-Y394 PolarHBondContact O-N 3.41Å; C392-Y394 PolarHBondContact SG-N 3.17Å; C392-Y394 VanDerWaalsContact SG-N 3.45Å; Y394-I409 HydrophobicContact CD2-CG1 4.24Å; Y394-I409 HydrophobicContact CD2-CG2 4.35Å; Y394-I409 HydrophobicContact CE2-CG1 4.34Å; Y394-I409 HydrophobicContact CE2-CG2 3.81Å; Y394-H413 WeakPolarHBondContact CB-CE1 3.26Å; Y394-H413 VanDerWaalsContact CB-CG 3.49Å; Y394-H413 VanDerWaalsContact CB-ND1 3.26Å; Y394-H413 WeakPolarHBondContact CB-ND1 3.25Å; Y394-H413 VanDerWaalsContact CB-NE2 3.33Å; Y394-H413 WeakPolarHBondContact CB-NE2 3.23Å; Y394-H413 HydrophobicContact CD2-CB 3.9Å; Y394-H413 AromaticContact CD2-CD2 3.92Å; Y394-H413 AromaticContact CD2-CG 3.77Å; Y394-H413 HydrophobicContact CE2-CB 4.27Å; Y394-H413 HydrophobicContact CG-CB 4.08Å; Y394-H413 AromaticContact CG-CD2 3.99Å; Y394-H413 AromaticContact CG-CG 3.65Å; Y394-H413 AromaticContact CG-ND1 3.76Å
395C74.1Confident72Confident36 Ų36101.2 Ų101.224%0.24347%0.473CS..THydrogen-bonded Turntrans-132.93.1-178.768.50000113.7C392 S397 H408C392-C395 VanDerWaalsContact CB-SG 3.56Å; C395-S397 PolarHBondContact O-N 3.19Å; C395-S397 VanDerWaalsContact SG-CB 3.57Å; C395-S397 PolarHBondContact SG-OG 3.26Å; C395-H408 PolarHBondContact SG-CE1 3.11Å; C395-H408 PolarHBondContact SG-NE2 3.08Å
396E73.6Confident74Confident116 Ų11694.3 Ų94.354%0.54245%0.446SS..  trans57.413.1-178.6-65.1172.3-155.700115.2V391 C392 R454V391-E396 HydrophobicContact CG1-CB 4.3Å; V391-E396 WeakPolarHBondContact CG1-O 3.23Å; C392-E396 WeakPolarHBondContact O-CA 3.35Å; C392-E396 PolarHBondContact O-N 2.77Å; E396-R454 IonicContact OE1-CZ 3.82Å; E396-R454 IonicContact OE1-NH1 3.9Å; E396-R454 PolarHBondContact OE1-NH1 3.43Å; E396-R454 IonicContact OE1-NH2 3.68Å; E396-R454 IonicContact OE2-NH1 3.6Å; E396-R454 PolarHBondContact OE2-NH1 3.19Å
397S79.3Confident76.2Confident36 Ų3694.2 Ų94.225%0.25244%0.439SS..  trans-63.6139.4173.768.30000110.8V391 C392 C395 F399V391-S397 CarbonylContact C-O 3.57Å; V391-S397 WeakPolarHBondContact CA-O 3.48Å; C392-S397 PolarHBondContact N-O 2.98Å; C395-S397 PolarHBondContact O-N 3.19Å; C395-S397 VanDerWaalsContact SG-CB 3.57Å; C395-S397 PolarHBondContact SG-OG 3.26Å; S397-F399 WeakPolarHBondContact OG-CE2 3.21Å; S397-F399 WeakPolarHBondContact OG-CZ 3.23Å
398T75.2Confident78.5Confident84 Ų8490.2 Ų90.252%0.51542%0.417SS..EExtended strand (participates in β ladder)trans-98130.1-17764.30000109.9R389 V391R389-T398 HydrophobicContact CB-CG2 4.49Å; V391-T398 HydrophobicContact CG2-CG2 4.14Å
399F80.6Confident80.1Confident41 Ų4180.7 Ų80.718%0.1838%0.382CS..EExtended strand (participates in β ladder)trans-122.2141.4177.8-62.3-79.6000110.8R389 H390 C392 S397 D404 L405 H408R389-F399 CarbonylContact C-O 3.55Å; R389-F399 WeakPolarHBondContact CA-O 3.42Å; H390-F399 HydrophobicContact CB-CB 4.2Å; H390-F399 WeakPolarHBondContact CB-O 3.31Å; H390-F399 PolarHBondContact N-O 2.93Å; H390-F399 WeakPolarHBondContact O-CB 3.32Å; H390-F399 WeakPolarHBondContact O-CD2 3.39Å; H390-F399 PolarHBondContact O-N 2.85Å; C392-F399 HydrophobicContact CB-CE2 4.09Å; S397-F399 WeakPolarHBondContact OG-CE2 3.21Å; S397-F399 WeakPolarHBondContact OG-CZ 3.23Å; F399-D404 HydrophobicContact CB-CB 4.33Å; F399-D404 HydrophobicContact CD1-CB 3.88Å; F399-D404 HydrophobicContact CG-CB 4.33Å; F399-L405 HydrophobicContact CB-CB 4.16Å; F399-L405 HydrophobicContact CD2-CB 3.69Å; F399-L405 HydrophobicContact CD2-CD1 3.66Å; F399-L405 HydrophobicContact CD2-CG 4.29Å; F399-L405 HydrophobicContact CE2-CB 4.44Å; F399-L405 HydrophobicContact CE2-CD1 3.84Å; F399-L405 HydrophobicContact CG-CB 4.12Å; F399-H408 HydrophobicContact CE1-CB 3.95Å; F399-H408 HydrophobicContact CE2-CB 3.7Å; F399-H408 AromaticContact CE2-CD2 3.64Å; F399-H408 AromaticContact CE2-CG 3.55Å; F399-H408 HydrophobicContact CZ-CB 3.3Å; F399-H408 AromaticContact CZ-CD2 3.74Å; F399-H408 AromaticContact CZ-CG 3.19Å; F399-H408 AromaticContact CZ-ND1 3.52Å
400E79.8Confident81Confident155 Ų15582.6 Ų82.672%0.72439%0.389SS*.SBendtrans-74.3-32.3177.7-60.2-172.1163.900112.1
401I82.5Confident81.4Confident95 Ų9583.4 Ų83.449%0.48740%0.402SS..SBendtrans-117.2136.6-175.6-47.4174.9000110.1H390 K403 D404 L405H390-I401 VanDerWaalsContact CD2-C 3.47Å; I401-K403 HydrophobicContact CG2-CB 4.22Å; I401-K403 PolarHBondContact O-N 3.24Å; I401-D404 WeakPolarHBondContact CB-OD2 3.39Å; I401-D404 PolarHBondContact O-N 3.04Å; I401-D404 VanDerWaalsContact O-N 3.14Å; I401-L405 PolarHBondContact O-N 3.32Å
402K82.6Confident81.4Confident124 Ų12486.2 Ų86.254%0.53941%0.412SS..Hα-helixtrans-57.9-35.4177.7-170.3-178.3171.3-172.30113.2H390 D404 L405 D406H390-K402 PolarHBondContact CD2-N 2.84Å; H390-K402 PolarHBondContact NE2-N 2.77Å; K402-D404 VanDerWaalsContact C-N 3.29Å; K402-D404 PolarHBondContact O-N 3.14Å; K402-L405 WeakPolarHBondContact O-CB 3.46Å; K402-L405 PolarHBondContact O-N 3.31Å; K402-D406 PolarHBondContact O-N 3.42Å
403K86.5Confident81.6Confident167 Ų16786.3 Ų86.373%0.72641%0.412SS*.Hα-helixtrans-61.3-38.9178.7-72.9-175178.9178.40111.5I401 D406 M407I401-K403 HydrophobicContact CG2-CB 4.22Å; I401-K403 PolarHBondContact O-N 3.24Å; K403-D406 PolarHBondContact O-N 3.12Å; K403-M407 VanDerWaalsContact O-CB 3.32Å; K403-M407 WeakPolarHBondContact O-CB 3.43Å; K403-M407 PolarHBondContact O-N 3.47Å
404D88.4Confident81.4Confident58 Ų5878 Ų7831%0.3139%0.388SS..Hα-helixtrans-71-39.6178.8-57.2-25000110.8F399 I401 K402 D406 M407 H408F399-D404 HydrophobicContact CB-CB 4.33Å; F399-D404 HydrophobicContact CD1-CB 3.88Å; F399-D404 HydrophobicContact CG-CB 4.33Å; I401-D404 WeakPolarHBondContact CB-OD2 3.39Å; I401-D404 PolarHBondContact O-N 3.04Å; I401-D404 VanDerWaalsContact O-N 3.14Å; K402-D404 VanDerWaalsContact C-N 3.29Å; K402-D404 PolarHBondContact O-N 3.14Å; D404-D406 VanDerWaalsContact C-N 3.35Å; D404-D406 PolarHBondContact O-N 3.45Å; D404-M407 PolarHBondContact O-N 3.49Å; D404-H408 WeakPolarHBondContact O-CB 3.48Å; D404-H408 PolarHBondContact O-N 2.85Å
405L84.5Confident81.2Confident19 Ų1981.5 Ų81.510%0.09941%0.407CS..Hα-helixtrans-57.8-47.9169171.362.5000111.4H390 C392 F399 I401 K402 M407 H408 I409H390-L405 HydrophobicContact CB-CB 3.84Å; H390-L405 HydrophobicContact CB-CD2 3.71Å; H390-L405 HydrophobicContact CB-CG 4.34Å; C392-L405 HydrophobicContact CB-CD1 3.51Å; F399-L405 HydrophobicContact CB-CB 4.16Å; F399-L405 HydrophobicContact CD2-CB 3.69Å; F399-L405 HydrophobicContact CD2-CD1 3.66Å; F399-L405 HydrophobicContact CD2-CG 4.29Å; F399-L405 HydrophobicContact CE2-CB 4.44Å; F399-L405 HydrophobicContact CE2-CD1 3.84Å; F399-L405 HydrophobicContact CG-CB 4.12Å; I401-L405 PolarHBondContact O-N 3.32Å; K402-L405 WeakPolarHBondContact O-CB 3.46Å; K402-L405 PolarHBondContact O-N 3.31Å; L405-M407 VanDerWaalsContact C-N 3.33Å; L405-M407 PolarHBondContact O-N 3.42Å; L405-H408 PolarHBondContact O-N 3.3Å; L405-I409 HydrophobicContact CD1-CD1 3.75Å; L405-I409 HydrophobicContact CD1-CG1 3.97Å; L405-I409 HydrophobicContact CD2-CD1 4.46Å; L405-I409 HydrophobicContact CG-CD1 3.88Å; L405-I409 HydrophobicContact CG-CG1 4.47Å; L405-I409 VanDerWaalsContact O-CG1 3.28Å; L405-I409 WeakPolarHBondContact O-CG1 3.4Å; L405-I409 PolarHBondContact O-N 3.4Å
406D86.6Confident80.8Confident54 Ų5481.5 Ų81.529%0.28940%0.403SS..Hα-helixtrans-66.4-35.7-179-76.1-29.9000111.9K402 K403 D404 R410K402-D406 PolarHBondContact O-N 3.42Å; K403-D406 PolarHBondContact O-N 3.12Å; D404-D406 VanDerWaalsContact C-N 3.35Å; D404-D406 PolarHBondContact O-N 3.45Å; D406-R410 WeakPolarHBondContact O-CB 3.27Å; D406-R410 VanDerWaalsContact O-CG 3.26Å; D406-R410 WeakPolarHBondContact O-CG 3.32Å; D406-R410 PolarHBondContact O-N 3Å; D406-R410 PolarHBondContact O-NE 3.11Å
407M86.8Confident80.5Confident117 Ų11780.1 Ų80.158%0.57639%0.393SS*.Hα-helixtrans-69.7-40.4174.2-177.5168.163.200111.4K403 D404 L405 R410 S411K403-M407 VanDerWaalsContact O-CB 3.32Å; K403-M407 WeakPolarHBondContact O-CB 3.43Å; K403-M407 PolarHBondContact O-N 3.47Å; D404-M407 PolarHBondContact O-N 3.49Å; L405-M407 VanDerWaalsContact C-N 3.33Å; L405-M407 PolarHBondContact O-N 3.42Å; M407-R410 PolarHBondContact O-N 3.33Å; M407-S411 WeakPolarHBondContact O-CB 2.91Å; M407-S411 PolarHBondContact O-N 2.83Å; M407-S411 PolarHBondContact O-OG 2.94Å
408H88.7Confident79.9Confident32 Ų3283 Ų8315%0.14841%0.406CS..Hα-helixtrans-62.5-47.8173.216883.1000111.4C392 C395 F399 D404 L405 R410 S411 M412 H413C392-H408 PolarHBondContact SG-CD2 2.99Å; C392-H408 PolarHBondContact SG-NE2 3.45Å; C392-H408 VanDerWaalsContact SG-NE2 3.36Å; C395-H408 PolarHBondContact SG-CE1 3.11Å; C395-H408 PolarHBondContact SG-NE2 3.08Å; F399-H408 HydrophobicContact CE1-CB 3.95Å; F399-H408 HydrophobicContact CE2-CB 3.7Å; F399-H408 AromaticContact CE2-CD2 3.64Å; F399-H408 AromaticContact CE2-CG 3.55Å; F399-H408 HydrophobicContact CZ-CB 3.3Å; F399-H408 AromaticContact CZ-CD2 3.74Å; F399-H408 AromaticContact CZ-CG 3.19Å; F399-H408 AromaticContact CZ-ND1 3.52Å; D404-H408 WeakPolarHBondContact O-CB 3.48Å; D404-H408 PolarHBondContact O-N 2.85Å; L405-H408 PolarHBondContact O-N 3.3Å; H408-R410 VanDerWaalsContact C-N 3.26Å; H408-R410 PolarHBondContact O-N 2.96Å; H408-S411 WeakPolarHBondContact CA-OG 3.25Å; H408-S411 PolarHBondContact O-N 3.08Å; H408-S411 PolarHBondContact O-OG 3.13Å; H408-M412 WeakPolarHBondContact O-CB 3.2Å; H408-M412 PolarHBondContact O-N 3.09Å; H408-H413 AromaticContact NE2-CD2 3.57Å; H408-H413 AromaticContact NE2-NE2 3.44Å; H408-H413 PolarHBondContact NE2-NE2 3.27Å
409I84.9Confident79.3Confident28 Ų2879.9 Ų79.914%0.14439%0.388CS..Hα-helixtrans-60.2-39.7175.9-68.2168.4000110.6Y394 L405 H413 A414Y394-I409 HydrophobicContact CD2-CG1 4.24Å; Y394-I409 HydrophobicContact CD2-CG2 4.35Å; Y394-I409 HydrophobicContact CE2-CG1 4.34Å; Y394-I409 HydrophobicContact CE2-CG2 3.81Å; L405-I409 HydrophobicContact CD1-CD1 3.75Å; L405-I409 HydrophobicContact CD1-CG1 3.97Å; L405-I409 HydrophobicContact CD2-CD1 4.46Å; L405-I409 HydrophobicContact CG-CD1 3.88Å; L405-I409 HydrophobicContact CG-CG1 4.47Å; L405-I409 VanDerWaalsContact O-CG1 3.28Å; L405-I409 WeakPolarHBondContact O-CG1 3.4Å; L405-I409 PolarHBondContact O-N 3.4Å; I409-H413 CarbonylContact O-C 3.46Å; I409-H413 VanDerWaalsContact O-C 3.23Å; I409-H413 WeakPolarHBondContact O-CA 3.46Å; I409-H413 WeakPolarHBondContact O-CB 3.18Å; I409-H413 PolarHBondContact O-N 2.68Å; I409-H413 VanDerWaalsContact O-N 3.17Å; I409-A414 PolarHBondContact O-N 3.25Å
410R83.7Confident78.3Confident157 Ų15782.2 Ų82.259%0.59240%0.396SS*.Hα-helixtrans-73.9-25.8179.6-79.1-178.2-121.1162.2-3.9114.5D406 M407 H408 A414D406-R410 WeakPolarHBondContact O-CB 3.27Å; D406-R410 VanDerWaalsContact O-CG 3.26Å; D406-R410 WeakPolarHBondContact O-CG 3.32Å; D406-R410 PolarHBondContact O-N 3Å; D406-R410 PolarHBondContact O-NE 3.11Å; M407-R410 PolarHBondContact O-N 3.33Å; H408-R410 VanDerWaalsContact C-N 3.26Å; H408-R410 PolarHBondContact O-N 2.96Å; R410-A414 VanDerWaalsContact O-CB 3.27Å; R410-A414 WeakPolarHBondContact O-CB 3.24Å
411S84.5Confident77.5Confident79 Ų7980.9 Ų80.955%0.55239%0.389SS*.Hα-helixtrans-94.2-49.4-179.451.10000111.8M407 H408M407-S411 WeakPolarHBondContact O-CB 2.91Å; M407-S411 PolarHBondContact O-N 2.83Å; M407-S411 PolarHBondContact O-OG 2.94Å; H408-S411 WeakPolarHBondContact CA-OG 3.25Å; H408-S411 PolarHBondContact O-N 3.08Å; H408-S411 PolarHBondContact O-OG 3.13Å
412M79.1Confident76.1Confident137 Ų13778.9 Ų78.968%0.67538%0.384SS*.Hα-helixtrans-87-31.9-174.4-67.1-67.6171.300113.4H408H408-M412 WeakPolarHBondContact O-CB 3.2Å; H408-M412 PolarHBondContact O-N 3.09Å
413H81.2Confident74.5Confident4 Ų485.1 Ų85.12%0.01940%0.404CS..SBendtrans-114.823.4-176.8-60-73.2000112.6Y394 H408 I409 E416 R417Y394-H413 WeakPolarHBondContact CB-CE1 3.26Å; Y394-H413 VanDerWaalsContact CB-CG 3.49Å; Y394-H413 VanDerWaalsContact CB-ND1 3.26Å; Y394-H413 WeakPolarHBondContact CB-ND1 3.25Å; Y394-H413 VanDerWaalsContact CB-NE2 3.33Å; Y394-H413 WeakPolarHBondContact CB-NE2 3.23Å; Y394-H413 HydrophobicContact CD2-CB 3.9Å; Y394-H413 AromaticContact CD2-CD2 3.92Å; Y394-H413 AromaticContact CD2-CG 3.77Å; Y394-H413 HydrophobicContact CE2-CB 4.27Å; Y394-H413 HydrophobicContact CG-CB 4.08Å; Y394-H413 AromaticContact CG-CD2 3.99Å; Y394-H413 AromaticContact CG-CG 3.65Å; Y394-H413 AromaticContact CG-ND1 3.76Å; H408-H413 AromaticContact NE2-CD2 3.57Å; H408-H413 AromaticContact NE2-NE2 3.44Å; H408-H413 PolarHBondContact NE2-NE2 3.27Å; I409-H413 CarbonylContact O-C 3.46Å; I409-H413 VanDerWaalsContact O-C 3.23Å; I409-H413 WeakPolarHBondContact O-CA 3.46Å; I409-H413 WeakPolarHBondContact O-CB 3.18Å; I409-H413 PolarHBondContact O-N 2.68Å; I409-H413 VanDerWaalsContact O-N 3.17Å; H413-E416 HydrophobicContact CB-CB 4.46Å; H413-E416 IonicContact CE1-OE2 3.96Å; H413-E416 IonicContact CG-OE2 3.05Å; H413-E416 IonicContact ND1-OE2 2.99Å; H413-E416 PolarHBondContact ND1-OE2 3.36Å; H413-E416 PolarHBondContact O-N 2.74Å; H413-R417 WeakPolarHBondContact O-CA 3.29Å; H413-R417 WeakPolarHBondContact O-CB 3.33Å; H413-R417 PolarHBondContact O-N 3Å
414A74.8Confident72.8Confident35 Ų3580.8 Ų80.829%0.28941%0.407SS..Hα-helixtrans-58.4-52.1-179.900000111.8I409 R410 R417 N418I409-A414 PolarHBondContact O-N 3.25Å; R410-A414 VanDerWaalsContact O-CB 3.27Å; R410-A414 WeakPolarHBondContact O-CB 3.24Å; A414-R417 PolarHBondContact O-N 2.75Å; A414-N418 WeakPolarHBondContact O-CB 3.41Å; A414-N418 PolarHBondContact O-N 3.28Å; A414-N418 PolarHBondContact O-ND2 3.26Å
415E67.6Low70.7Confident137 Ų13782.3 Ų82.364%0.6443%0.428SS*.Hα-helixtrans-64.2-44.1179.9-63.4-175.4177.400111.1N418 A419 K430E415-N418 PolarHBondContact O-N 3.35Å; E415-A419 WeakPolarHBondContact O-CB 3.29Å; E415-A419 PolarHBondContact O-N 3.09Å; E415-K430 IonicContact OE2-NZ 2.96Å
416E65.3Low69.1Low37 Ų3783.3 Ų83.317%0.17343%0.434CS..Hα-helixtrans-69.9-34.8-178.5-154.5172.4-167.700112.4H413 R420 H450H413-E416 HydrophobicContact CB-CB 4.46Å; H413-E416 IonicContact CE1-OE2 3.96Å; H413-E416 IonicContact CG-OE2 3.05Å; H413-E416 IonicContact ND1-OE2 2.99Å; H413-E416 PolarHBondContact ND1-OE2 3.36Å; H413-E416 PolarHBondContact O-N 2.74Å; E416-R420 WeakPolarHBondContact O-CG 3.45Å; E416-R420 PolarHBondContact O-N 3.44Å; E416-R420 VanDerWaalsContact O-N 3.14Å; E416-H450 IonicContact OE1-CE1 3.75Å
417R67.2Low67.7Low87 Ų8783.5 Ų83.533%0.32845%0.45SS..Hα-helixtrans-67-45171.8176.4-176169.7-179.7-3.2111.2H413 A414 A419 R420 Q421H413-R417 WeakPolarHBondContact O-CA 3.29Å; H413-R417 WeakPolarHBondContact O-CB 3.33Å; H413-R417 PolarHBondContact O-N 3Å; A414-R417 PolarHBondContact O-N 2.75Å; R417-A419 VanDerWaalsContact C-N 3.31Å; R417-A419 PolarHBondContact O-N 2.97Å; R417-R420 PolarHBondContact O-N 3.2Å; R417-Q421 PolarHBondContact O-N 3.33Å
418N67.3Low66.8Low97 Ų9786.8 Ų86.852%0.51946%0.456SS..Hα-helixtrans-61.9-43.1178-72.1-13.6000110.4A414 E415 R420 Q421 S422A414-N418 WeakPolarHBondContact O-CB 3.41Å; A414-N418 PolarHBondContact O-N 3.28Å; A414-N418 PolarHBondContact O-ND2 3.26Å; E415-N418 PolarHBondContact O-N 3.35Å; N418-R420 VanDerWaalsContact C-N 3.29Å; N418-R420 PolarHBondContact O-N 3.4Å; N418-Q421 PolarHBondContact O-N 3.02Å; N418-Q421 VanDerWaalsContact O-N 3.13Å; N418-S422 PolarHBondContact O-N 3.42Å; N418-S422 PolarHBondContact O-OG 2.72Å; N418-S422 VanDerWaalsContact O-OG 3.06Å
419A61.9Low66.2Low17 Ų1786 Ų8614%0.1445%0.452CS..Hα-helixtrans-59.7-36.1175.200000113.1E415 R417 S422 V426 L429E415-A419 WeakPolarHBondContact O-CB 3.29Å; E415-A419 PolarHBondContact O-N 3.09Å; R417-A419 VanDerWaalsContact C-N 3.31Å; R417-A419 PolarHBondContact O-N 2.97Å; A419-S422 PolarHBondContact O-OG 3.48Å; A419-V426 HydrophobicContact CB-CG1 3.85Å; A419-V426 WeakPolarHBondContact O-CG2 3.41Å; A419-L429 HydrophobicContact CB-CD2 3.55Å
420R60.7Low66Low91 Ų9191 Ų9134%0.34347%0.473SS..Hα-helixtrans-77-28.4174.8-70.6-177.4-176.6-118.36.4113.8E416 R417 N418 I443E416-R420 WeakPolarHBondContact O-CG 3.45Å; E416-R420 PolarHBondContact O-N 3.44Å; E416-R420 VanDerWaalsContact O-N 3.14Å; R417-R420 PolarHBondContact O-N 3.2Å; N418-R420 VanDerWaalsContact C-N 3.29Å; N418-R420 PolarHBondContact O-N 3.4Å; R420-I443 HydrophobicContact CG-CD1 3.74Å; R420-I443 HydrophobicContact CG-CG1 4.44Å
421Q62.1Low65.8Low126 Ų12684.1 Ų84.159%0.58945%0.448SS*.Hα-helixtrans-81.5-31.2179.8-81.2-173.4-19.100113.2R417 N418 R423R417-Q421 PolarHBondContact O-N 3.33Å; N418-Q421 PolarHBondContact O-N 3.02Å; N418-Q421 VanDerWaalsContact O-N 3.13Å; Q421-R423 PolarHBondContact O-N 3.01Å
422S54.1Low65.5Low54 Ų5487.2 Ų87.238%0.37845%0.448SS..SBendtrans-69.696.5172.650.30000110.3N418 A419 G424N418-S422 PolarHBondContact O-N 3.42Å; N418-S422 PolarHBondContact O-OG 2.72Å; N418-S422 VanDerWaalsContact O-OG 3.06Å; A419-S422 PolarHBondContact O-OG 3.48Å; S422-G424 PolarHBondContact O-N 3.16Å
423R48.7Very low65.4Low254 Ų25482.1 Ų82.196%0.95842%0.422SS*.SBendtrans-69.830.8-169.2-134.3-178.9175.5114.7-2.1115.9Q421Q421-R423 PolarHBondContact O-N 3.01Å
424G50.1Low65.1Low76 Ų7690 Ų9078%0.78446%0.464SS*.SBendtrans163.70.6178.100000119.2S422S422-G424 PolarHBondContact O-N 3.16Å
425A45.7Very low65.3Low90 Ų9095.1 Ų95.174%0.74448%0.482SS*.  trans-138.559.9179.200000110.5G427A425-G427 PolarHBondContact O-N 3.05Å
426V49.4Very low66.1Low40 Ų4089.8 Ų89.824%0.24246%0.459CS..  trans-81.9110.9-179.6-170.30000107.7A419 L429A419-V426 HydrophobicContact CB-CG1 3.85Å; A419-V426 WeakPolarHBondContact O-CG2 3.41Å; V426-L429 HydrophobicContact CG1-CD1 4.21Å; V426-L429 HydrophobicContact CG1-CD2 3.85Å; V426-L429 HydrophobicContact CG1-CG 3.82Å
427G57.6Low66.8Low59 Ų5997 Ų9761%0.60849%0.493SS*.  trans-56.7159.3163.700000110.5A425 L429A425-G427 PolarHBondContact O-N 3.05Å; G427-L429 PolarHBondContact O-N 2.94Å
428R69.3Low67.7Low186 Ų18696.3 Ų96.370%0.70249%0.492SS*.  trans-38.5115.6-179.4-99.9178.9-160.7-141.712.9112K430 T439R428-K430 PolarHBondContact O-N 3.15Å; R428-T439 WeakPolarHBondContact CD-OG1 3.18Å; R428-T439 PolarHBondContact NH1-OG1 3.37Å
429L74.9Confident68.4Low14 Ų1494 Ų947%0.07348%0.482CS..EExtended strand (participates in β ladder)trans-73.7120.5168.2-59.1149.4000107.6A419 V426 G427 T439 T440 I443 L446A419-L429 HydrophobicContact CB-CD2 3.55Å; V426-L429 HydrophobicContact CG1-CD1 4.21Å; V426-L429 HydrophobicContact CG1-CD2 3.85Å; V426-L429 HydrophobicContact CG1-CG 3.82Å; G427-L429 PolarHBondContact O-N 2.94Å; L429-T439 CarbonylContact O-C 3.43Å; L429-T439 WeakPolarHBondContact O-CA 3.46Å; L429-T440 WeakPolarHBondContact CA-O 3.46Å; L429-T440 HydrophobicContact CB-CG2 4.47Å; L429-T440 WeakPolarHBondContact CB-O 3.36Å; L429-T440 PolarHBondContact N-O 2.77Å; L429-T440 PolarHBondContact O-N 3.31Å; L429-I443 HydrophobicContact CD1-CG1 3.95Å; L429-L446 HydrophobicContact CB-CD2 3.87Å
430K80Confident69.4Low135 Ų13593.9 Ų93.959%0.58748%0.48SS*.EExtended strand (participates in β ladder)trans-93.4146.4176.658.3-178.3177.2179.10111E415 R428 T439E415-K430 IonicContact OE2-NZ 2.96Å; R428-K430 PolarHBondContact O-N 3.15Å; K430-T439 HydrophobicContact CB-CG2 3.95Å
431C81.1Confident70.1Confident11 Ų1195.1 Ų95.17%0.07449%0.493CS..PPolyproline II helixtrans-60.1144.8170.7-173.10000110.7Y433 C436 F438 H449C431-Y433 VanDerWaalsContact C-N 3.32Å; C431-C436 HydrophobicContact CB-CB 4.11Å; C431-F438 HydrophobicContact CB-CB 4.13Å; C431-F438 PolarHBondContact N-O 3.43Å; C431-H449 VanDerWaalsContact SG-CD2 3.53Å; C431-H449 PolarHBondContact SG-NE2 3.39Å
432R77.1Confident70.9Confident144 Ų14491.3 Ų91.354%0.54348%0.48SS..SBendtrans-71.5-26.2178.3-171.1179.574.51581.9113N434 H450R432-N434 PolarHBondContact O-N 2.85Å; R432-H450 PolarHBondContact N-NE2 3.44Å
433Y78.3Confident71.8Confident30 Ų3091.4 Ų91.412%0.11848%0.476CS..SBendtrans-76.7121.4-176.9-69.4-83.7000110.5C431 H435 C436 H453 E457C431-Y433 VanDerWaalsContact C-N 3.32Å; Y433-H435 AromaticContact CD1-CE1 3.68Å; Y433-H435 PolarHBondContact O-N 2.9Å; Y433-H435 VanDerWaalsContact O-N 3.11Å; Y433-C436 PolarHBondContact O-N 3.13Å; Y433-H453 HydrophobicContact CD2-CB 3.6Å; Y433-H453 AromaticContact CD2-CD2 3.52Å; Y433-H453 AromaticContact CD2-CG 3.44Å; Y433-H453 VanDerWaalsContact CD2-CG 3.44Å; Y433-H453 HydrophobicContact CE1-CB 4.3Å; Y433-H453 HydrophobicContact CE2-CB 3.19Å; Y433-H453 AromaticContact CE2-CG 3.63Å; Y433-H453 HydrophobicContact CG-CB 4.31Å; Y433-H453 AromaticContact CG-CG 3.95Å; Y433-E457 VanDerWaalsContact CE1-OE1 3.28Å; Y433-E457 WeakPolarHBondContact CE1-OE1 3.18Å; Y433-E457 PolarHBondContact OH-OE2 2.69Å
434N73Confident72.9Confident171 Ų17186.3 Ų86.391%0.91447%0.465SS*.THydrogen-bonded Turntrans-58.3-27.8-176.7-70-22.4000113.6R432 C436R432-N434 PolarHBondContact O-N 2.85Å; N434-C436 VanDerWaalsContact C-N 3.28Å
435H79.7Confident74.4Confident142 Ų14286.1 Ų86.166%0.65745%0.445SS*.THydrogen-bonded Turntrans-83.4-0.2177.660.1-97.4000113.3Y433 H453Y433-H435 AromaticContact CD1-CE1 3.68Å; Y433-H435 PolarHBondContact O-N 2.9Å; Y433-H435 VanDerWaalsContact O-N 3.11Å; H435-H453 AromaticContact CD2-CE1 3.91Å; H435-H453 AromaticContact NE2-CE1 3.36Å; H435-H453 PolarHBondContact NE2-CE1 2.87Å; H435-H453 AromaticContact NE2-ND1 3.45Å; H435-H453 PolarHBondContact NE2-ND1 3.04Å
436C83.9Confident76.1Confident25 Ų2582.2 Ų82.217%0.16941%0.412CS..  trans-120.5110.1-175.5-169.80000112.3C431 Y433 N434 F438 H449 H453C431-C436 HydrophobicContact CB-CB 4.11Å; Y433-C436 PolarHBondContact O-N 3.13Å; N434-C436 VanDerWaalsContact C-N 3.28Å; C436-F438 PolarHBondContact O-N 2.62Å; C436-F438 VanDerWaalsContact SG-CB 3.54Å; C436-H449 PolarHBondContact SG-CE1 3.29Å; C436-H449 PolarHBondContact SG-NE2 3.41Å; C436-H453 VanDerWaalsContact CB-NE2 3.34Å; C436-H453 WeakPolarHBondContact CB-NE2 3.44Å; C436-H453 PolarHBondContact SG-NE2 3.36Å
437E81.7Confident77.6Confident188 Ų18884 Ų8488%0.87942%0.42SS*.  trans-81.815.8177.5-60-171.4164.900113.7T439E437-T439 PolarHBondContact O-N 2.64Å
438F86Confident78.8Confident72 Ų7289.4 Ų89.432%0.31642%0.422SS..  trans-64.4123.6-179.5-176.9-101.2000110.6C431 C436 T440 L446 H449C431-F438 HydrophobicContact CB-CB 4.13Å; C431-F438 PolarHBondContact N-O 3.43Å; C436-F438 PolarHBondContact O-N 2.62Å; C436-F438 VanDerWaalsContact SG-CB 3.54Å; F438-T440 HydrophobicContact CD1-CG2 4.4Å; F438-T440 HydrophobicContact CE1-CG2 3.61Å; F438-T440 HydrophobicContact CZ-CG2 4.22Å; F438-L446 HydrophobicContact CD1-CD1 4.16Å; F438-L446 HydrophobicContact CE1-CD1 4.33Å; F438-H449 WeakPolarHBondContact CB-NE2 3.46Å; F438-H449 HydrophobicContact CD1-CB 3.94Å; F438-H449 AromaticContact CD1-CD2 3.35Å; F438-H449 WeakPolarHBondContact CD1-CD2 3.34Å; F438-H449 AromaticContact CD1-CG 3.48Å; F438-H449 VanDerWaalsContact CD1-CG 3.48Å; F438-H449 AromaticContact CD1-NE2 3.81Å; F438-H449 HydrophobicContact CE1-CB 3.76Å; F438-H449 AromaticContact CE1-CG 3.82Å; F438-H449 AromaticContact CG-CD2 3.78Å; F438-H449 AromaticContact CG-CE1 3.84Å; F438-H449 AromaticContact CG-CG 3.88Å; F438-H449 AromaticContact CG-ND1 3.93Å; F438-H449 AromaticContact CG-NE2 3.73Å; F438-H449 HydrophobicContact CZ-CB 4.38Å
439T82Confident79.5Confident49 Ų4981.7 Ų81.730%0.30139%0.394SS..EExtended strand (participates in β ladder)trans-130135.8176.952.90000110.4R428 L429 K430 E437R428-T439 WeakPolarHBondContact CD-OG1 3.18Å; R428-T439 PolarHBondContact NH1-OG1 3.37Å; L429-T439 CarbonylContact O-C 3.43Å; L429-T439 WeakPolarHBondContact O-CA 3.46Å; K430-T439 HydrophobicContact CB-CG2 3.95Å; E437-T439 PolarHBondContact O-N 2.64Å
440T81.4Confident80Confident15 Ų1582.2 Ų82.29%0.09240%0.396CS..EExtended strand (participates in β ladder)trans-144.6153.7-177.7177.20000111.1L429 F438 S442 L445 L446L429-T440 WeakPolarHBondContact CA-O 3.46Å; L429-T440 HydrophobicContact CB-CG2 4.47Å; L429-T440 WeakPolarHBondContact CB-O 3.36Å; L429-T440 PolarHBondContact N-O 2.77Å; L429-T440 PolarHBondContact O-N 3.31Å; F438-T440 HydrophobicContact CD1-CG2 4.4Å; F438-T440 HydrophobicContact CE1-CG2 3.61Å; F438-T440 HydrophobicContact CZ-CG2 4.22Å; T440-S442 WeakPolarHBondContact CG2-O 3.03Å; T440-S442 PolarHBondContact OG1-N 2.84Å; T440-S442 PolarHBondContact OG1-O 2.6Å; T440-L445 HydrophobicContact CG2-CB 4.36Å; T440-L446 HydrophobicContact CG2-CB 3.66Å; T440-L446 HydrophobicContact CG2-CD1 3.96Å; T440-L446 HydrophobicContact CG2-CG 4.39Å
441N76.8Confident80Confident117 Ų11779 Ų7963%0.62639%0.386SS*.SBendtrans-91.9-8171-61.4-12.5000111.7
442S78.3Confident79.9Confident46 Ų4683.6 Ų83.632%0.32241%0.406SS..  trans-104.5118.1-177.6175.80000111.1T440 M444 L445 L446T440-S442 WeakPolarHBondContact CG2-O 3.03Å; T440-S442 PolarHBondContact OG1-N 2.84Å; T440-S442 PolarHBondContact OG1-O 2.6Å; S442-M444 PolarHBondContact O-N 3.45Å; S442-M444 PolarHBondContact OG-N 2.79Å; S442-L445 PolarHBondContact O-N 2.81Å; S442-L445 VanDerWaalsContact O-N 3.15Å; S442-L446 PolarHBondContact O-N 2.75Å; S442-L446 VanDerWaalsContact O-N 3.14Å
443I72Confident80.2Confident55 Ų5577.3 Ų77.328%0.28238%0.383SS..Hα-helixtrans-54.6-40.4172.7-77.9157.7000111.6R420 L429 L445 L446 D447R420-I443 HydrophobicContact CG-CD1 3.74Å; R420-I443 HydrophobicContact CG-CG1 4.44Å; L429-I443 HydrophobicContact CD1-CG1 3.95Å; I443-L445 VanDerWaalsContact C-N 3.29Å; I443-L445 PolarHBondContact O-N 3.45Å; I443-L446 PolarHBondContact O-N 2.95Å; I443-D447 WeakPolarHBondContact O-CB 3.16Å; I443-D447 PolarHBondContact O-N 2.83Å
444M73.5Confident80Confident147 Ų14780.2 Ų80.272%0.72439%0.393SS*.Hα-helixtrans-65.2-34.5-178.5-62.4-67.1-70.600112.1S442 R448S442-M444 PolarHBondContact O-N 3.45Å; S442-M444 PolarHBondContact OG-N 2.79Å; M444-R448 PolarHBondContact O-N 2.73Å
445L80.7Confident80Confident73 Ų7380.5 Ų80.538%0.38238%0.382SS..Hα-helixtrans-75.2-35177.1-71.9177.5000111.8T440 S442 I443 H449T440-L445 HydrophobicContact CG2-CB 4.36Å; S442-L445 PolarHBondContact O-N 2.81Å; S442-L445 VanDerWaalsContact O-N 3.15Å; I443-L445 VanDerWaalsContact C-N 3.29Å; I443-L445 PolarHBondContact O-N 3.45Å; L445-H449 VanDerWaalsContact O-CB 3.29Å; L445-H449 WeakPolarHBondContact O-CB 3.47Å; L445-H449 PolarHBondContact O-N 3.41Å; L445-H449 VanDerWaalsContact O-N 3.09Å
446L81.9Confident79.4Confident7 Ų779 Ų794%0.03738%0.375CS..Hα-helixtrans-67.4-43.7175.6-167.771.8000111.3L429 F438 T440 S442 I443 R448 H449 H450L429-L446 HydrophobicContact CB-CD2 3.87Å; F438-L446 HydrophobicContact CD1-CD1 4.16Å; F438-L446 HydrophobicContact CE1-CD1 4.33Å; T440-L446 HydrophobicContact CG2-CB 3.66Å; T440-L446 HydrophobicContact CG2-CD1 3.96Å; T440-L446 HydrophobicContact CG2-CG 4.39Å; S442-L446 PolarHBondContact O-N 2.75Å; S442-L446 VanDerWaalsContact O-N 3.14Å; I443-L446 PolarHBondContact O-N 2.95Å; L446-R448 PolarHBondContact O-N 3.44Å; L446-H449 CarbonylContact O-C 3.55Å; L446-H449 WeakPolarHBondContact O-CA 3.29Å; L446-H449 WeakPolarHBondContact O-CB 3.49Å; L446-H449 PolarHBondContact O-N 3.1Å; L446-H450 PolarHBondContact O-N 3.42Å
447D81.2Confident78.2Confident79 Ų7983.9 Ų83.942%0.42240%0.395SS..Hα-helixtrans-59.9-48.1179-149.842.6000110.8I443 H449 H450 D451I443-D447 WeakPolarHBondContact O-CB 3.16Å; I443-D447 PolarHBondContact O-N 2.83Å; D447-H449 PolarHBondContact O-N 3.34Å; D447-H450 PolarHBondContact O-N 3.32Å; D447-D451 PolarHBondContact O-N 3.15Å
448R81.3Confident77.2Confident171 Ų17182.8 Ų82.865%0.64539%0.39SS*.Hα-helixtrans-61-32.1174.4-173.1178.168.8108.91.6112.9M444 L446 Q452M444-R448 PolarHBondContact O-N 2.73Å; L446-R448 PolarHBondContact O-N 3.44Å; R448-Q452 PolarHBondContact O-N 3.24Å
449H84.5Confident75Confident24 Ų2485.3 Ų85.311%0.11141%0.407CS..Hα-helixtrans-76.8-40.1178.8175.471.7000112.1C431 C436 F438 L445 L446 D447 D451 Q452 H453C431-H449 VanDerWaalsContact SG-CD2 3.53Å; C431-H449 PolarHBondContact SG-NE2 3.39Å; C436-H449 PolarHBondContact SG-CE1 3.29Å; C436-H449 PolarHBondContact SG-NE2 3.41Å; F438-H449 WeakPolarHBondContact CB-NE2 3.46Å; F438-H449 HydrophobicContact CD1-CB 3.94Å; F438-H449 AromaticContact CD1-CD2 3.35Å; F438-H449 WeakPolarHBondContact CD1-CD2 3.34Å; F438-H449 AromaticContact CD1-CG 3.48Å; F438-H449 VanDerWaalsContact CD1-CG 3.48Å; F438-H449 AromaticContact CD1-NE2 3.81Å; F438-H449 HydrophobicContact CE1-CB 3.76Å; F438-H449 AromaticContact CE1-CG 3.82Å; F438-H449 AromaticContact CG-CD2 3.78Å; F438-H449 AromaticContact CG-CE1 3.84Å; F438-H449 AromaticContact CG-CG 3.88Å; F438-H449 AromaticContact CG-ND1 3.93Å; F438-H449 AromaticContact CG-NE2 3.73Å; F438-H449 HydrophobicContact CZ-CB 4.38Å; L445-H449 VanDerWaalsContact O-CB 3.29Å; L445-H449 WeakPolarHBondContact O-CB 3.47Å; L445-H449 PolarHBondContact O-N 3.41Å; L445-H449 VanDerWaalsContact O-N 3.09Å; L446-H449 CarbonylContact O-C 3.55Å; L446-H449 WeakPolarHBondContact O-CA 3.29Å; L446-H449 WeakPolarHBondContact O-CB 3.49Å; L446-H449 PolarHBondContact O-N 3.1Å; D447-H449 PolarHBondContact O-N 3.34Å; H449-D451 VanDerWaalsContact C-N 3.3Å; H449-D451 PolarHBondContact O-N 3.34Å; H449-Q452 VanDerWaalsContact O-CB 3.31Å; H449-Q452 WeakPolarHBondContact O-CB 3.43Å; H449-Q452 PolarHBondContact O-N 3.48Å; H449-H453 AromaticContact CD2-CD2 3.98Å; H449-H453 AromaticContact CE1-CD2 3.71Å; H449-H453 AromaticContact CE1-NE2 3.38Å; H449-H453 PolarHBondContact CE1-NE2 2.84Å; H449-H453 AromaticContact NE2-CD2 3.41Å; H449-H453 PolarHBondContact NE2-CD2 3.34Å; H449-H453 AromaticContact NE2-NE2 3.19Å; H449-H453 PolarHBondContact NE2-NE2 3.24Å; H449-H453 VanDerWaalsContact NE2-NE2 3.19Å; H449-H453 PolarHBondContact O-N 2.95Å
450H85.1Confident72.9Confident26 Ų2686.3 Ų86.312%0.1243%0.427CS..Hα-helixtrans-62.6-37.7171.5-71.2171.7000112E416 R432 L446 D447 Q452 H453 R454E416-H450 IonicContact OE1-CE1 3.75Å; R432-H450 PolarHBondContact N-NE2 3.44Å; L446-H450 PolarHBondContact O-N 3.42Å; D447-H450 PolarHBondContact O-N 3.32Å; H450-Q452 PolarHBondContact O-N 3.42Å; H450-H453 PolarHBondContact O-N 3.42Å; H450-R454 PolarHBondContact O-N 2.82Å
451D79.7Confident70.7Confident68 Ų6894.2 Ų94.236%0.36446%0.462SS..Hα-helixtrans-61.7-26.9171.9-85.4-2.4000112.9D447 H449 R454 R455D447-D451 PolarHBondContact O-N 3.15Å; H449-D451 VanDerWaalsContact C-N 3.3Å; H449-D451 PolarHBondContact O-N 3.34Å; D451-R454 IonicContact OD1-CZ 2.81Å; D451-R454 IonicContact OD1-NH2 3.23Å; D451-R454 PolarHBondContact OD1-NH2 2.84Å; D451-R455 WeakPolarHBondContact O-CG 3.46Å; D451-R455 PolarHBondContact O-N 3.45Å
452Q80.8Confident68.4Low107 Ų10796.4 Ų96.450%0.547%0.474SS..Hα-helixtrans-75.8-42.3177.2-166.6170.58.500111.8R448 H449 H450 R454 R455 Q456R448-Q452 PolarHBondContact O-N 3.24Å; H449-Q452 VanDerWaalsContact O-CB 3.31Å; H449-Q452 WeakPolarHBondContact O-CB 3.43Å; H449-Q452 PolarHBondContact O-N 3.48Å; H450-Q452 PolarHBondContact O-N 3.42Å; Q452-R454 VanDerWaalsContact C-N 3.34Å; Q452-R455 PolarHBondContact O-N 3.45Å; Q452-Q456 PolarHBondContact O-N 3.46Å
453H81.7Confident66.3Low12 Ų1299.7 Ų99.76%0.05649%0.492CS..Hα-helixtrans-63.4-39.9173.2-81.9-70.5000112.5Y433 H435 C436 H449 H450 R455 Q456 E457Y433-H453 HydrophobicContact CD2-CB 3.6Å; Y433-H453 AromaticContact CD2-CD2 3.52Å; Y433-H453 AromaticContact CD2-CG 3.44Å; Y433-H453 VanDerWaalsContact CD2-CG 3.44Å; Y433-H453 HydrophobicContact CE1-CB 4.3Å; Y433-H453 HydrophobicContact CE2-CB 3.19Å; Y433-H453 AromaticContact CE2-CG 3.63Å; Y433-H453 HydrophobicContact CG-CB 4.31Å; Y433-H453 AromaticContact CG-CG 3.95Å; H435-H453 AromaticContact CD2-CE1 3.91Å; H435-H453 AromaticContact NE2-CE1 3.36Å; H435-H453 PolarHBondContact NE2-CE1 2.87Å; H435-H453 AromaticContact NE2-ND1 3.45Å; H435-H453 PolarHBondContact NE2-ND1 3.04Å; C436-H453 VanDerWaalsContact CB-NE2 3.34Å; C436-H453 WeakPolarHBondContact CB-NE2 3.44Å; C436-H453 PolarHBondContact SG-NE2 3.36Å; H449-H453 AromaticContact CD2-CD2 3.98Å; H449-H453 AromaticContact CE1-CD2 3.71Å; H449-H453 AromaticContact CE1-NE2 3.38Å; H449-H453 PolarHBondContact CE1-NE2 2.84Å; H449-H453 AromaticContact NE2-CD2 3.41Å; H449-H453 PolarHBondContact NE2-CD2 3.34Å; H449-H453 AromaticContact NE2-NE2 3.19Å; H449-H453 PolarHBondContact NE2-NE2 3.24Å; H449-H453 VanDerWaalsContact NE2-NE2 3.19Å; H449-H453 PolarHBondContact O-N 2.95Å; H450-H453 PolarHBondContact O-N 3.42Å; H453-R455 PolarHBondContact O-N 2.91Å; H453-Q456 WeakPolarHBondContact O-CA 3.18Å; H453-Q456 WeakPolarHBondContact O-CB 3.44Å; H453-Q456 PolarHBondContact O-N 2.63Å; H453-E457 PolarHBondContact O-N 3.42Å
454R75.2Confident64.5Low90 Ų90100.5 Ų100.534%0.3451%0.514SS..Hα-helixtrans-59.9-34178.7-154.4-174.1-48.5-179.911.3112.4E396 H450 D451 Q452E396-R454 IonicContact OE1-CZ 3.82Å; E396-R454 IonicContact OE1-NH1 3.9Å; E396-R454 PolarHBondContact OE1-NH1 3.43Å; E396-R454 IonicContact OE1-NH2 3.68Å; E396-R454 IonicContact OE2-NH1 3.6Å; E396-R454 PolarHBondContact OE2-NH1 3.19Å; H450-R454 PolarHBondContact O-N 2.82Å; D451-R454 IonicContact OD1-CZ 2.81Å; D451-R454 IonicContact OD1-NH2 3.23Å; D451-R454 PolarHBondContact OD1-NH2 2.84Å; Q452-R454 VanDerWaalsContact C-N 3.34Å
455R73.2Confident62.7Low177 Ų17799.6 Ų99.667%0.66851%0.511SS*.Hα-helixtrans-72.1-31.7174-68.8175.2-175.5-167.10.6112.7D451 Q452 H453D451-R455 WeakPolarHBondContact O-CG 3.46Å; D451-R455 PolarHBondContact O-N 3.45Å; Q452-R455 PolarHBondContact O-N 3.45Å; H453-R455 PolarHBondContact O-N 2.91Å
456Q66.6Low60.1Low110 Ų110105.4 Ų105.451%0.51454%0.536SS..Hα-helixtrans-76.2-26.3178.5-70.8174.6-11.700113Q452 H453 D459Q452-Q456 PolarHBondContact O-N 3.46Å; H453-Q456 WeakPolarHBondContact O-CA 3.18Å; H453-Q456 WeakPolarHBondContact O-CB 3.44Å; H453-Q456 PolarHBondContact O-N 2.63Å; Q456-D459 CarbonylContact O-C 3.58Å; Q456-D459 PolarHBondContact O-N 2.68Å
457E59.7Low57.9Low128 Ų128112.1 Ų112.160%0.59857%0.571SS**Hα-helixtrans-74.7-24.8175.8-68.8-17813100113Y433 H453Y433-E457 VanDerWaalsContact CE1-OE1 3.28Å; Y433-E457 WeakPolarHBondContact CE1-OE1 3.18Å; Y433-E457 PolarHBondContact OH-OE2 2.69Å; H453-E457 PolarHBondContact O-N 3.42Å
458E59.3Low55.5Low165 Ų165113.7 Ų113.777%0.77159%0.586SS**Hα-helixtrans-76.8-30.6172.9-71.2-179.6170.800111.8G460E458-G460 PolarHBondContact O-N 3.14Å
459D39.9Very low53.3Low126 Ų126111.1 Ų111.167%0.67459%0.591SS**SBendtrans-100.270.6179.4-62.6-33.7000110Q456 E461Q456-D459 CarbonylContact O-C 3.58Å; Q456-D459 PolarHBondContact O-N 2.68Å; D459-E461 VanDerWaalsContact C-N 3.3Å; D459-E461 PolarHBondContact O-N 2.66Å
460G38.5Very low50.9Low69 Ų69114.7 Ų114.771%0.71163%0.625SS**  trans-66.483.617400000112.1E458E458-G460 PolarHBondContact O-N 3.14Å
461E34.9Very low48.3Very low181 Ų181124.9 Ų124.985%0.84666%0.662SS**SBendtrans-163.1121.2157.5-108.7166.3-154.900110.3D459 V463D459-E461 VanDerWaalsContact C-N 3.3Å; D459-E461 PolarHBondContact O-N 2.66Å; E461-V463 PolarHBondContact O-N 3.43Å; E461-V463 VanDerWaalsContact O-N 3.11Å
462D29.1Very low46Very low163 Ų163131.8 Ų131.887%0.87269%0.685SS**  trans-58.2103.1-178.9-17929.1000112
463V34.4Very low43.7Very low116 Ų116131.2 Ų131.270%0.70369%0.692SS**  trans-132.591.9163.2-169.90000109.3E461 I465E461-V463 PolarHBondContact O-N 3.43Å; E461-V463 VanDerWaalsContact O-N 3.11Å; V463-I465 HydrophobicContact CG1-CG1 4.25Å; V463-I465 PolarHBondContact O-N 2.83Å
464G34.2Very low41Very low71 Ų71140.4 Ų140.473%0.73273%0.728SS**  trans-57.7104.4169.400000111.8
465I35.9Very low39Very low129 Ų129142 Ų14266%0.66275%0.748SS**  trans-115.894.8160.1-54.3179.3000107V463 L467V463-I465 HydrophobicContact CG1-CG1 4.25Å; V463-I465 PolarHBondContact O-N 2.83Å; I465-L467 HydrophobicContact CB-CD1 4.47Å; I465-L467 HydrophobicContact CG2-CD1 3.74Å; I465-L467 PolarHBondContact O-N 3.29Å; I465-L467 VanDerWaalsContact O-N 3.15Å
466E25.8Very low36.9Very low195 Ų195143 Ų14391%0.91176%0.757SS**  trans-64.7105.4167.5-72.4-176.8152.600109.2
467L35.6Very low35.1Very low147 Ų147149.7 Ų149.777%0.7778%0.777SS**PPolyproline II helixtrans-87.4136.4167.2-88.495000110.8I465I465-L467 HydrophobicContact CB-CD1 4.47Å; I465-L467 HydrophobicContact CG2-CD1 3.74Å; I465-L467 PolarHBondContact O-N 3.29Å; I465-L467 VanDerWaalsContact O-N 3.15Å
468P30.4Very low33.6Very low113 Ų113152.1 Ų152.173%0.73479%0.786SS**PPolyproline II helixtrans-72.8153.3-170.429.5-35.3000112.9A470P468-A470 PolarHBondContact O-N 3.45Å
469P34.5Very low32Very low116 Ų116152.6 Ų152.675%0.75379%0.786SS**PPolyproline II helixtrans-70.1130.3-172.326.5-33.3000112.1R471P469-R471 PolarHBondContact O-N 3.23Å
470A33.9Very low31.6Very low100 Ų100154.4 Ų154.483%0.82679%0.794SS**  trans-60.397.1174.300000110.9P468 Y472P468-A470 PolarHBondContact O-N 3.45Å; A470-Y472 PolarHBondContact O-N 3.5Å
471R30.9Very low31.2Very low239 Ų239161.1 Ų161.190%0.90280%0.804SS**  trans-72.991.7171-69.9-170.3-177.3-1682.3109.7P469 S473P469-R471 PolarHBondContact O-N 3.23Å; R471-S473 PolarHBondContact O-N 3.25Å
472Y32.3Very low31.1Very low214 Ų214160.3 Ų160.384%0.83981%0.805SS**  trans-89.686.4165.5-135.4-94.6000109.3A470A470-Y472 PolarHBondContact O-N 3.5Å
473S30.9Very low31Very low94 Ų94157.2 Ų157.266%0.65780%0.796SS**  trans-87.7114.1174.2157.60000109.9R471 T475R471-S473 PolarHBondContact O-N 3.25Å; S473-T475 PolarHBondContact O-N 2.91Å; S473-T475 VanDerWaalsContact O-N 3.13Å
474Y26.8Very low30.9Very low206 Ų206162 Ų16281%0.80881%0.807SS**  trans-63.8103168.1-92.4-91.3000110.9K476Y474-K476 PolarHBondContact O-N 3.27Å
475T33Very low30.5Very low122 Ų122168.8 Ų168.875%0.74881%0.81SS**  trans-87.996.816154.70000109.4S473 R477S473-T475 PolarHBondContact O-N 2.91Å; S473-T475 VanDerWaalsContact O-N 3.13Å; T475-R477 PolarHBondContact O-N 2.83Å
476K28Very low30.1Very low198 Ų198168.4 Ų168.486%0.86181%0.81SS**  trans-56.6102.9165-79.2175176.3169.90109.4Y474 K478Y474-K476 PolarHBondContact O-N 3.27Å; K476-K478 PolarHBondContact O-N 3.46Å
477R30.2Very low30.4Very low251 Ų251169.7 Ų169.795%0.94781%0.806SS**  trans-86.1102.3158.7-93-177.3162.8179.6-4.5108.7T475T475-R477 PolarHBondContact O-N 2.83Å
478K26.6Very low30.1Very low179 Ų179169.9 Ų169.978%0.77881%0.807SS**  trans-92.6141.1174.6-141.9-174.4-177.7172.60108.3K476K476-K478 PolarHBondContact O-N 3.46Å
479K25.6Very low30Very low176 Ų176169.9 Ų169.977%0.76581%0.805SS**  trans72.5123.9158.5-62.1-174.7175.5-177.50118.3
480L31.4Very low29.6Very low163 Ų163171.6 Ų171.685%0.85381%0.808SS**  -160.297.8114.1-93.3148.7000107.7
481K30.8Very low29Very low210 Ų210169.7 Ų169.791%0.91380%0.798SS**PPolyproline II helixtrans-96.6117161.4-80.7-168.8176.9-177.10106.4
482L32.2Very low28.9Very low165 Ų165169.5 Ų169.586%0.86480%0.798SS**PPolyproline II helixtrans-73.3136-178-139.276.3000110.3
483S26.8Very low28.5Very low97 Ų97167.9 Ų167.968%0.67880%0.799SS**PPolyproline II helixtrans-61.7126.6-179.4142.70000112.7R485S483-R485 PolarHBondContact OG-N 3.24Å
484K33.3Very low28.5Very low218 Ų218170.3 Ų170.395%0.94880%0.804SS**  trans-110.191.3146.5-102.7-177.2179.4176.80108.2
485R25.6Very low28.6Very low212 Ų212166.7 Ų166.780%0.880%0.799SS**  trans-73117.8163.7167.7-176.7151.2141.2-2.9107.9S483S483-R485 PolarHBondContact OG-N 3.24Å
486N26.9Very low28.3Very low121 Ų121169 Ų16965%0.64780%0.801SS**  173.7143.9120.3-119.616.1000114.1
487R33.4Very low28.4Very low223 Ų223167.4 Ų167.484%0.84280%0.802SS**  trans87.7140.3162.3-61.2176.3-178.8-178.80.8116.8
488L28.2Very low28.2Very low150 Ų150159.9 Ų159.979%0.78579%0.794SS**  cis174.8140.2-30.2-124150.5000103.5
489V29.5Very low28.3Very low113 Ų113160 Ų16069%0.68580%0.797SS**  trans82.7116.4161.3-174.10000118.4
490D25.6Very low28.3Very low153 Ų153157.7 Ų157.782%0.81880%0.798SS**  trans30130.6142.1-54.9-33.1000118.8
491G22.1Very low28.2Very low59 Ų59153.6 Ų153.661%0.60880%0.795SS**  cis113.493.633.300000108.1
492Y28.8Very low27.9Very low235 Ų235151 Ų15192%0.92279%0.791SS**  trans-154.9113.8156.5-79.6-73000108
493E24Very low27.8Very low181 Ų181147 Ų14785%0.84679%0.789SS**  trans-80141.4157.8-63.1171.2158.700106.6
494D29.8Very low27.9Very low144 Ų144151.9 Ų151.977%0.7780%0.801SS**  trans-175.1122.4146.4-89.4-18.3000109.1
495D29.4Very low27.6Very low131 Ų131145 Ų14570%0.70179%0.792SS**  trans57.3115.5138.8-52.5-25.5000119.7
496E25.4Very low27.6Very low171 Ų171141.9 Ų141.980%0.79979%0.791SS**  56106.280.7-67.5-166.2-174.800111.8
497D31.1Very low27.8Very low163 Ų163144.3 Ų144.387%0.87280%0.804SS**  -175.5131.5120.7-84.2-27.5000111.3
498A25.6Very low27.4Very low94 Ų94140.8 Ų140.878%0.77780%0.802SS**  trans-109.4112.2171.300000107.9
499E28.6Very low27.6Very low182 Ų182142.9 Ų142.985%0.8581%0.81SS**  trans-142.9112.6158.7-71.9-161.9159.100105.9
500T25.6Very low27.4Very low127 Ų127141.2 Ų141.278%0.77981%0.808SS**  50.7113.278.9-37.40000112.4
501G30.1Very low27.4Very low76 Ų76141 Ų14178%0.78481%0.807SS**  trans-168.670.8-18000000109.5
502D24.8Very low27.9Very low157 Ų157145.8 Ų145.884%0.8482%0.819SS**  trans-68136.5162.6-55.4-53.1000108.6
503G29.8Very low27.9Very low79 Ų79143 Ų14381%0.81481%0.814SS**  trans-14983179.900000109.6
504E27.5Very low27.9Very low200 Ų200141.1 Ų141.194%0.93581%0.81SS**  trans-65143.7159.2-65.6175158.500109.3
505G27.5Very low27.8Very low73 Ų73141.5 Ų141.575%0.75381%0.812SS**  trans-16791.9178.800000109.3
506D25.1Very low27.6Very low148 Ų148141 Ų14179%0.79181%0.813SS**  trans-59.1144.9163.8-61.2-56.5000110.8
507D31.4Very low27.8Very low171 Ų171143.2 Ų143.291%0.91482%0.816SS**  trans-149.1108155.3-89.2-40.7000109.2
508D25.2Very low27.4Very low149 Ų149143.8 Ų143.880%0.79781%0.813SS**  trans-68.1137.9165-65.2-63.9000110.8
509M31.8Very low27.1Very low194 Ų194146.3 Ų146.396%0.95681%0.814SS**  trans-143.3121.9153-81.9-66.1-178.700109.5
510A26.8Very low27.3Very low79 Ų79143.6 Ų143.665%0.65381%0.81SS**  trans-96.5166.2175.700000111.4
511D25.4Very low27.1Very low149 Ų149140.6 Ų140.680%0.79780%0.803SS**  trans78.2130.9154.1-55.4-30.6000121
512D32Very low27.2Very low159 Ų159143.9 Ų143.985%0.8581%0.808SS**  trans151.187.3151.8-79.8-29000108
513E29.1Very low27.2Very low177 Ų177143.9 Ų143.983%0.82781%0.808SS**  58.7108.987.1-69.9-160.1177.300116.1
514D24.9Very low27.3Very low141 Ų141143.6 Ų143.675%0.75481%0.805SS**  trans29.7117.9143.8-62.8-36.1000121.6
515D27.4Very low27.3Very low152 Ų152141.8 Ų141.881%0.81380%0.802SS**  trans-135.5106.4147.9-105.5-31.8000110.3
516V24.3Very low27.5Very low120 Ų120144.6 Ų144.673%0.72780%0.804SS**  trans-94121.2171.7174.30000107.7
517Y29.8Very low27.7Very low217 Ų217142.9 Ų142.985%0.85180%0.799SS**  trans-117.2109.3164.7-96.6-83000109.8
518E21.8Very low27.4Very low175 Ų175146.4 Ų146.482%0.81880%0.8SS**  trans-104.5149.4162-77.5-162.515300110.5
519D21.2Very low27.5Very low147 Ų147150.5 Ų150.579%0.78680%0.804SS**  trans66.4137.9161.9-139.931.6000116.4
520V30.9Very low27.4Very low126 Ų126147.1 Ų147.176%0.76479%0.794SS**  cis-159.514844.5-158.90000109.3
521G22.3Very low27.4Very low63 Ų63151.3 Ų151.365%0.64980%0.804SS**  trans-73.6155.9175.600000115.1
522V31.8Very low27.5Very low145 Ų145150 Ų15088%0.87980%0.802SS**  trans-147.7135.9152.4178.50000109.4
523D25.6Very low27.2Very low158 Ų158150.5 Ų150.585%0.84580%0.804SS**  trans-55.1126.4-175-59.2-72.2000116.3
524G31.7Very low27.1Very low73 Ų73150.3 Ų150.375%0.75381%0.806SS**  trans-117.769.9165.300000110.6V526G524-V526 PolarHBondContact O-N 2.99Å
525N27.7Very low27.1Very low161 Ų161152.6 Ų152.686%0.86181%0.81SS**  trans-70.788179.1-1413.6000109.9
526V31.4Very low27.1Very low133 Ų133149.8 Ų149.881%0.80680%0.802SS**  trans-115.999169.7-175.10000109.8G524G524-V526 PolarHBondContact O-N 2.99Å
527T29.1Very low27.2Very low112 Ų112151.1 Ų151.169%0.68781%0.805SS**  trans-21.7125.3169.950.30000116.8R529T527-R529 PolarHBondContact O-N 2.73Å
528R25.1Very low27.3Very low245 Ų245146.2 Ų146.293%0.92580%0.798SS**  trans-55.4115.2161.6-74.4177173.6168.3-1.6109.9
529R28Very low27.6Very low235 Ų235148.6 Ų148.689%0.88780%0.799SS**  trans-91.4103.1159-77.6179.5177.5150.2-0.2108.6T527 I531T527-R529 PolarHBondContact O-N 2.73Å; R529-I531 PolarHBondContact O-N 2.94Å
530T29.7Very low27.8Very low122 Ų122151.1 Ų151.175%0.74880%0.803SS**  trans-64.5120.3167.446.40000109.8
531I26.9Very low27.7Very low167 Ų167151.9 Ų151.986%0.85681%0.808SS**  trans-86.1114.6169.6-64.1171.9000107.4R529R529-I531 PolarHBondContact O-N 2.94Å
532T27.7Very low27.8Very low122 Ų122157.3 Ų157.375%0.74882%0.816SS**  trans-76.7133.3176.934.20000111.3
533L24.4Very low27.3Very low170 Ų170155.5 Ų155.589%0.8981%0.81SS**  trans-73.3121172-73.7152.7000109.9K535L533-K535 PolarHBondContact O-N 2.54Å
534I27.2Very low27.1Very low173 Ų173154.2 Ų154.289%0.88780%0.803SS**  trans-77.8107172.1-60.3171.7000108.1
535K26.1Very low26.7Very low189 Ų189158.3 Ų158.382%0.82280%0.803SS**  trans-83.2126.7172.2-99.4175.9175.21750111L533L533-K535 PolarHBondContact O-N 2.54Å
536S27Very low26.3Very low93 Ų93158.7 Ų158.765%0.6580%0.799SS**  trans22.1111.9146.1560000118.9T538S536-T538 PolarHBondContact O-N 3.16Å
537N26.9Very low25.9Very low147 Ų147161.6 Ų161.679%0.78680%0.797SS**  trans-83.886.4161.2-164.39.2000109.7R539N537-R539 PolarHBondContact O-N 3.34Å
538T30.6Very low25.5Very low115 Ų115161.6 Ų161.671%0.70680%0.797SS**  trans-77.6107.816547.90000108.6S536 K540S536-T538 PolarHBondContact O-N 3.16Å; T538-K540 PolarHBondContact O-N 2.92Å
539R27.7Very low25.4Very low224 Ų224155.7 Ų155.785%0.84579%0.793SS**  trans-71.1111.5169.4-80.8-178.2170.3178.6-3.2109.3N537N537-R539 PolarHBondContact O-N 3.34Å
540K25.9Very low25.2Very low200 Ų200148 Ų14887%0.8779%0.788SS**  trans-58.7126.1165.1-75.3174.8171.3178.30109.8T538T538-K540 PolarHBondContact O-N 2.92Å
541V29.9Very low24.9Very low143 Ų143147.2 Ų147.287%0.86779%0.787SS**  trans-111.2140.2150.4175.20000106.7
542Q23.5Very low24.7Very low177 Ų177145.7 Ų145.783%0.82779%0.786SS**  trans-73.6156.9-160.6-71.5158.6-29.300113.8
543S20.3Very low24.4Very low106 Ų106144 Ų14474%0.74179%0.792SS**  trans-4514417147.80000116.1
544N22Very low24.5Very low131 Ų131139.5 Ų139.570%0.70179%0.787SS**  trans-154.8127.3131.8-111.121.1000111
545E22.9Very low24.3Very low160 Ų160138.4 Ų138.475%0.74879%0.788SS**  trans66.896.3132.2-61.2171.8177.500121
546E19.3Very low24.3Very low169 Ų169133 Ų13379%0.7979%0.785SS**  36.4136.5106.4-95.9178.3-173.600123.3
547Y23.6Very low24.1Very low194 Ų194134.7 Ų134.776%0.76179%0.792SS**  trans84.6103.6158.1-73.2-78000122.8
548T21.5Very low24.1Very low112 Ų112135.9 Ų135.969%0.68780%0.797SS**  17131.3127.569.50000123.3
549S23.1Very low23.8Very low121 Ų121138.8 Ų138.885%0.84680%0.8SS**  trans66.9121.9133.367.20000121.9
550G22.4Very low23.5Very low74 Ų74135.9 Ų135.976%0.76380%0.796SS**  trans140110.2142.100000117.9
551S23.7Very low23.5Very low105 Ų105131.1 Ų131.173%0.73479%0.788SS**  trans67.6118134.7-140.90000122.5
552T22.9Very low23.3Very low135 Ų135131 Ų13183%0.82878%0.782SS**  40.8125.212965.10000121.1
553G22.1Very low23.6Very low85 Ų85128.4 Ų128.488%0.87678%0.778SS**  trans137.4118144.800000113.2
554G25.8Very low24.1Very low76 Ų76129 Ų12978%0.78478%0.778SS**  trans146.776163.900000114.3G556G554-G556 PolarHBondContact O-N 3.28Å
555V22.9Very low24.3Very low151 Ų151130.6 Ų130.692%0.91579%0.786SS**  trans-62.5119165.5-163.20000108
556G26.3Very low24.8Very low74 Ų74134.2 Ų134.276%0.76379%0.793SS**  trans-147.682.9-179.200000110.3G554 L558G554-G556 PolarHBondContact O-N 3.28Å; G556-L558 PolarHBondContact O-N 2.72Å
557V22.3Very low25.1Very low130 Ų130138.3 Ų138.379%0.78880%0.801SS**  trans-74.7107169.3173.60000107.9
558L28.3Very low25.5Very low172 Ų172137.8 Ų137.890%0.90181%0.808SS**  trans-147.7140.5151.6-83.5-175.1000111.3G556G556-L558 PolarHBondContact O-N 2.72Å
559K23.2Very low26Very low175 Ų175138 Ų13876%0.76181%0.814SS**  trans-72.2150.5-167.1-73.9169.9166.11770114.1
560E22.3Very low26.4Very low164 Ų164144.1 Ų144.177%0.76682%0.819SS**  trans38.5116.2133.9-58173.5156.200118.4
561S25.5Very low26.8Very low99 Ų99144.8 Ų144.869%0.69282%0.817SS**  153.4146.797.654.30000112.4
562N24.6Very low27.2Very low142 Ų142150.9 Ų150.976%0.75982%0.824SS**  trans79.7117.7166.1-56.8-31.5000115.8
563T30.2Very low27.5Very low121 Ų121156.2 Ų156.274%0.74283%0.829SS**  -172.71376335.50000113.2
564T31.1Very low27.9Very low119 Ų119157 Ų15773%0.7381%0.813SS**  trans71.8104.5135.162.90000122.5
565N26.6Very low28.1Very low164 Ų164157.1 Ų157.188%0.87780%0.799SS**  52.980.7116.5-72.1-16.5000118.6
566R33.4Very low28.7Very low237 Ų237153.4 Ų153.489%0.89479%0.785SS**  trans-89.7114.4148.2-96.9179.3167.8162.2-2.7109.7M568R566-M568 PolarHBondContact O-N 3.22Å
567R25.2Very low29.4Very low254 Ų254157.7 Ų157.796%0.95878%0.778SS**  trans-52101.4165.9-88.1176.2165.4170.8-4.1109.4
568M32.1Very low29.9Very low184 Ų184156.6 Ų156.691%0.90676%0.76SS**  trans-78.3121.1167.8-84.5151.9120.900109.3R566 R570R566-M568 PolarHBondContact O-N 3.22Å; M568-R570 PolarHBondContact O-N 2.89Å
569S32.7Very low30.2Very low117 Ų117156.8 Ų156.882%0.81875%0.754SS**  trans-55.7128.2171.7-62.40000109.9A571S569-A571 PolarHBondContact O-N 2.96Å
570R30.3Very low31Very low249 Ų249152 Ų15294%0.9474%0.736SS**  trans-55.493.4180-90.2173.2154.8165.7-7111.1M568M568-R570 PolarHBondContact O-N 2.89Å
571A31.8Very low31.4Very low87 Ų87150.1 Ų150.172%0.71972%0.723SS**  trans-63.3138.9168.100000109.7S569 R573S569-A571 PolarHBondContact O-N 2.96Å; A571-R573 PolarHBondContact O-N 3.08Å
572R31.2Very low31.8Very low233 Ų233151.8 Ų151.888%0.87972%0.724SS**  trans-57.1130177.1-67.1-179.8177-149.8-0.8108.7L574R572-L574 PolarHBondContact O-N 3.22Å
573R29.7Very low32.2Very low247 Ų247150.8 Ų150.893%0.93272%0.724SS**  trans-60.1102.8179.8-66.5-175.3-163.9-144.33.3109.1A571A571-R573 PolarHBondContact O-N 3.08Å
574L30.2Very low32.2Very low103 Ų103151.3 Ų151.354%0.53972%0.722SS.*  trans-68.6152.5170.8-73.4124.4000109.8R572 Y578R572-L574 PolarHBondContact O-N 3.22Å; L574-Y578 HydrophobicContact CB-CD1 3.99Å; L574-Y578 HydrophobicContact CB-CG 4.23Å; L574-Y578 HydrophobicContact CD1-CD1 3.98Å; L574-Y578 HydrophobicContact CD1-CE1 4.13Å; L574-Y578 HydrophobicContact CD2-CD1 3.8Å; L574-Y578 HydrophobicContact CD2-CD2 4.48Å; L574-Y578 HydrophobicContact CD2-CE1 3.97Å; L574-Y578 HydrophobicContact CD2-CG 4.07Å; L574-Y578 HydrophobicContact CG-CD1 4.13Å
575P29.8Very low32.3Very low77 Ų77153.1 Ų153.150%0.572%0.72SS.*  trans-53.7150.4176.1-26.836000113.1W577 Y578P575-W577 VanDerWaalsContact C-N 3.26Å; P575-W577 PolarHBondContact O-N 2.99Å; P575-W577 VanDerWaalsContact O-N 3.1Å; P575-Y578 VanDerWaalsContact O-CB 3.3Å; P575-Y578 WeakPolarHBondContact O-CB 3.43Å; P575-Y578 PolarHBondContact O-N 2.76Å
576A36Very low32.5Very low74 Ų74150.7 Ų150.761%0.61271%0.711SS**G310 helixtrans-56.7-31.4-168.200000115Y578 K579A576-Y578 PolarHBondContact O-N 3.33Å; A576-K579 PolarHBondContact O-N 3.13Å
577W40.3Very low32.5Very low164 Ų164147.1 Ų147.162%0.62171%0.706SS**G310 helixtrans-69.8-14.2177.962.7-97.8000113.9P575P575-W577 VanDerWaalsContact C-N 3.26Å; P575-W577 PolarHBondContact O-N 2.99Å; P575-W577 VanDerWaalsContact O-N 3.1Å
578Y34.3Very low32.8Very low106 Ų106142.8 Ų142.842%0.41670%0.697SS.*G310 helixtrans-85.4-18.8178.8-159-94.4000112.8L574 P575 A576 D580 Y581L574-Y578 HydrophobicContact CB-CD1 3.99Å; L574-Y578 HydrophobicContact CB-CG 4.23Å; L574-Y578 HydrophobicContact CD1-CD1 3.98Å; L574-Y578 HydrophobicContact CD1-CE1 4.13Å; L574-Y578 HydrophobicContact CD2-CD1 3.8Å; L574-Y578 HydrophobicContact CD2-CD2 4.48Å; L574-Y578 HydrophobicContact CD2-CE1 3.97Å; L574-Y578 HydrophobicContact CD2-CG 4.07Å; L574-Y578 HydrophobicContact CG-CD1 4.13Å; P575-Y578 VanDerWaalsContact O-CB 3.3Å; P575-Y578 WeakPolarHBondContact O-CB 3.43Å; P575-Y578 PolarHBondContact O-N 2.76Å; A576-Y578 PolarHBondContact O-N 3.33Å; Y578-D580 PolarHBondContact O-N 3.43Å; Y578-Y581 PolarHBondContact O-N 3.48Å
579K34.1Very low32.6Very low177 Ų177143.1 Ų143.177%0.7770%0.696SS**THydrogen-bonded Turntrans-68.5-18-177.8-95.1-173.7173-172.10114.3A576 Y581A576-K579 PolarHBondContact O-N 3.13Å; K579-Y581 VanDerWaalsContact C-N 3.32Å
580D39.7Very low32.6Very low73 Ų73146 Ų14639%0.3970%0.696SS.*THydrogen-bonded Turntrans-87-1.6179.8-63.4-41.9000112.8K227 Y578 D582K227-D580 IonicContact NZ-OD1 3.11Å; K227-D580 PolarHBondContact NZ-OD1 3.31Å; Y578-D580 PolarHBondContact O-N 3.43Å; D580-D582 PolarHBondContact O-N 3.28Å
581Y30.9Very low32.9Very low126 Ų126137.5 Ų137.549%0.49469%0.686SS.*  trans-95.879.7174-70.4-90.3000110.6Y578 K579 T583Y578-Y581 PolarHBondContact O-N 3.48Å; K579-Y581 VanDerWaalsContact C-N 3.32Å; Y581-T583 PolarHBondContact O-N 3.27Å
582D34.1Very low33.5Very low133 Ų133140 Ų14071%0.71169%0.693SS**  trans-67120.7165.4-83.5-36.1000109.7D580 D584D580-D582 PolarHBondContact O-N 3.28Å; D582-D584 VanDerWaalsContact C-N 3.26Å; D582-D584 PolarHBondContact O-N 3.47Å
583T32.6Very low34Very low122 Ų122134.6 Ų134.675%0.74868%0.678SS**  trans-84.510.2177.743.30000113.7Y581 F585Y581-T583 PolarHBondContact O-N 3.27Å; T583-F585 PolarHBondContact O-N 2.94Å
584D30.5Very low34.8Very low131 Ų131128.6 Ų128.670%0.70167%0.665SS**  trans-88.474.3-172.9-64-15.3000110.9D582 V586D582-D584 VanDerWaalsContact C-N 3.26Å; D582-D584 PolarHBondContact O-N 3.47Å; D584-V586 PolarHBondContact O-N 3.14Å
585F32.5Very low36.4Very low158 Ų158131.5 Ų131.569%0.69367%0.669SS**  trans-78.692.5165.6-122.9-89.6000108.5T583T583-F585 PolarHBondContact O-N 2.94Å
586V31.9Very low37.9Very low113 Ų113135.9 Ų135.969%0.68568%0.682SS**  trans-76.7116.8164.3-177.50000106.9D584 H588D584-V586 PolarHBondContact O-N 3.14Å; V586-H588 PolarHBondContact O-N 3.22Å; V586-H588 VanDerWaalsContact O-N 3.13Å
587M33.6Very low39.4Very low162 Ų162137.3 Ų137.380%0.79868%0.677SS**  trans-60.4112.2174.4-66.3-83.9-73.300108.4E589M587-E589 PolarHBondContact O-N 3.01Å
588H30.3Very low40.7Very low163 Ų163132.6 Ų132.676%0.75567%0.666SS**  trans-81.1111.9160.7-90.2-85.5000107.2V586 E590V586-H588 PolarHBondContact O-N 3.22Å; V586-H588 VanDerWaalsContact O-N 3.13Å; H588-E590 VanDerWaalsContact C-N 3.32Å; H588-E590 PolarHBondContact O-N 3.31Å
589E28.9Very low42.3Very low191 Ų191130.8 Ų130.889%0.89366%0.661SS**  trans-69.788.2169.3-68.1179.1165.100108.3M587M587-E589 PolarHBondContact O-N 3.01Å
590E31.6Very low44Very low177 Ų177126.4 Ų126.483%0.82766%0.658SS**  trans-90.5121.7164.6-72.3-176.4173.400108.3H588H588-E590 VanDerWaalsContact C-N 3.32Å; H588-E590 PolarHBondContact O-N 3.31Å
591G38.1Very low45.4Very low71 Ų71129.8 Ų129.873%0.73267%0.671SS**  trans-59.8143.7-172.100000113.3M593G591-M593 PolarHBondContact O-N 2.93Å
592V43.2Very low46.3Very low140 Ų140126.7 Ų126.785%0.84866%0.663SS**  trans-63.5110.9175.5-178.40000108.5
593M42.5Very low46.7Very low118 Ų118124.2 Ų124.258%0.58165%0.654SS**  trans-69.8138.3169.6-72.2-173.4-64.400109.9G591G591-M593 PolarHBondContact O-N 2.93Å
594D46.1Very low47.5Very low122 Ų122125.1 Ų125.165%0.65266%0.662SS**  trans-77.2150.8-177.1-84.2-46.7000112.2E596 E597 V598D594-E596 PolarHBondContact O-N 3.2Å; D594-E597 WeakPolarHBondContact O-CB 3.27Å; D594-E597 PolarHBondContact O-N 3.15Å; D594-V598 PolarHBondContact O-N 3.11Å
595R63.3Low48.7Very low164 Ų164122.8 Ų122.862%0.61967%0.669SS**Hα-helixtrans-53.6-29.3-171.6-175176.4128.1131.10.9114.4Q599 D610R595-Q599 PolarHBondContact O-N 2.72Å; R595-D610 IonicContact NH1-OD1 3.9Å
596E61.7Low49.1Very low168 Ų168119.6 Ų119.679%0.78566%0.658SS**Hα-helixtrans-70.3-35.4177.7-67.6179.616500112.3D594 V598 Q599 A600D594-E596 PolarHBondContact O-N 3.2Å; E596-V598 VanDerWaalsContact C-N 3.32Å; E596-V598 PolarHBondContact O-N 2.92Å; E596-Q599 PolarHBondContact O-N 3.31Å; E596-A600 PolarHBondContact O-N 2.86Å; E596-A600 VanDerWaalsContact O-N 3.09Å
597E67.6Low50.1Low105 Ų105122 Ų12249%0.49166%0.662SS.*Hα-helixtrans-71.6-28.8177.4-62.1-177.5148.500111.9D594 Q601D594-E597 WeakPolarHBondContact O-CB 3.27Å; D594-E597 PolarHBondContact O-N 3.15Å; E597-Q601 WeakPolarHBondContact O-CG 3.42Å; E597-Q601 PolarHBondContact O-NE2 3.46Å
598V67.9Low50.9Low64 Ų64118.1 Ų118.139%0.38864%0.644SS.*Hα-helixtrans-73-42.1174.8-178.70000110.9D594 E596 A600 Q601D594-V598 PolarHBondContact O-N 3.11Å; E596-V598 VanDerWaalsContact C-N 3.32Å; E596-V598 PolarHBondContact O-N 2.92Å; V598-A600 VanDerWaalsContact C-N 3.31Å; V598-A600 PolarHBondContact O-N 3.35Å; V598-Q601 PolarHBondContact O-N 3.31Å
599Q67.4Low52Low69 Ų69118.7 Ų118.732%0.32265%0.647SS.*Hα-helixtrans-65.6-34.4176.2-172.165.142.800111.9R595 E596 Q601 L602 I606 L608R595-Q599 PolarHBondContact O-N 2.72Å; E596-Q599 PolarHBondContact O-N 3.31Å; Q599-Q601 VanDerWaalsContact C-N 3.27Å; Q599-Q601 PolarHBondContact O-N 2.84Å; Q599-L602 PolarHBondContact O-N 2.98Å; Q599-I606 PolarHBondContact NE2-O 3.26Å; Q599-L608 VanDerWaalsContact OE1-CD1 3.25Å
600A69.4Low52.7Low85 Ų85114.6 Ų114.670%0.70263%0.631SS**Hα-helixtrans-69.2-20.3178.600000114.3E596 V598E596-A600 PolarHBondContact O-N 2.86Å; E596-A600 VanDerWaalsContact O-N 3.09Å; V598-A600 VanDerWaalsContact C-N 3.31Å; V598-A600 PolarHBondContact O-N 3.35Å
601Q68.7Low53.4Low143 Ų143112 Ų11267%0.66863%0.63SS**THydrogen-bonded Turntrans-89.9-10.8177.8-72.1178.364.700113.4E597 V598 Q599E597-Q601 WeakPolarHBondContact O-CG 3.42Å; E597-Q601 PolarHBondContact O-NE2 3.46Å; V598-Q601 PolarHBondContact O-N 3.31Å; Q599-Q601 VanDerWaalsContact C-N 3.27Å; Q599-Q601 PolarHBondContact O-N 2.84Å
602L50.1Low53.9Low61 Ų61114.1 Ų114.132%0.31963%0.634SS.*SBendtrans-81139.2178.6-78.8155.5000110.7Q599 I606 L608Q599-L602 PolarHBondContact O-N 2.98Å; L602-I606 HydrophobicContact CD2-CG2 4.38Å; L602-L608 HydrophobicContact CD1-CD1 4.39Å; L602-L608 HydrophobicContact CD1-CD2 4.23Å; L602-L608 HydrophobicContact CD1-CG 4.13Å
603P42.1Very low53.9Low81 Ų81111.3 Ų111.353%0.52663%0.625SS.*PPolyproline II helixtrans-53.4148.6176.1-2532.5000112.4G605 I606P603-G605 PolarHBondContact O-N 2.69Å; P603-G605 VanDerWaalsContact O-N 3.16Å; P603-I606 PolarHBondContact O-N 3.26Å
604P50.1Low53.9Low142 Ų142111.5 Ų111.592%0.92263%0.632SS**THydrogen-bonded Turntrans-54.5122.4-179.5-22.431.5000111.7
605G56Low53.7Low82 Ų82113.2 Ų113.285%0.84564%0.641SS**THydrogen-bonded Turntrans112.20.5175.600000116.4P603P603-G605 PolarHBondContact O-N 2.69Å; P603-G605 VanDerWaalsContact O-N 3.16Å
606I41.5Very low52.9Low91 Ų91114.9 Ų114.947%0.46765%0.653SS.*  trans-108.6100.3175.3-56.2171.1000108.8Q599 L602 P603Q599-I606 PolarHBondContact NE2-O 3.26Å; L602-I606 HydrophobicContact CD2-CG2 4.38Å; P603-I606 PolarHBondContact O-N 3.26Å
607E51.9Low51.6Low163 Ų163115.2 Ų115.276%0.76266%0.655SS**  trans-87.5135.6172.1-66.2-174177.600110E609E607-E609 PolarHBondContact O-N 3.43Å
608L51.2Low50Low80 Ų80117.4 Ų117.442%0.41967%0.67SS.*  trans-70.695.1173.4-72.4166000109.8Q599 L602Q599-L608 VanDerWaalsContact OE1-CD1 3.25Å; L602-L608 HydrophobicContact CD1-CD1 4.39Å; L602-L608 HydrophobicContact CD1-CD2 4.23Å; L602-L608 HydrophobicContact CD1-CG 4.13Å
609E52.3Low48.8Very low175 Ų175120.8 Ų120.882%0.81869%0.691SS**  trans-76.4137.7174-73.3-176.2164.300112.2E607E607-E609 PolarHBondContact O-N 3.43Å
610D44.5Very low47.3Very low105 Ų105123.1 Ų123.156%0.56171%0.712SS**  trans-69.3132.1-176.5-90.9-36000111.8R595 S612 A613R595-D610 IonicContact NH1-OD1 3.9Å; D610-S612 PolarHBondContact O-N 2.97Å; D610-A613 PolarHBondContact O-N 3.42Å
611P46.8Very low45.9Very low122 Ų122125.6 Ų125.679%0.79272%0.718SS**THydrogen-bonded Turntrans-70.711.7-170.626.9-34.8000115.5
612S47.8Very low44Very low117 Ų117127.4 Ų127.482%0.81873%0.727SS**THydrogen-bonded Turntrans-86.2-8.5174.258.90000113.9D610D610-S612 PolarHBondContact O-N 2.97Å
613A43.1Very low43Very low80 Ų80132.4 Ų132.466%0.66175%0.748SS**  trans-99.30.8-172.500000115.7D610 D615D610-A613 PolarHBondContact O-N 3.42Å; A613-D615 PolarHBondContact O-N 2.8Å
614V43.4Very low42.6Very low122 Ų122139.3 Ų139.374%0.73976%0.764SS**  trans-93.497.4-179.5-174.50000110.2
615D40.3Very low41.6Very low158 Ų158138.7 Ų138.785%0.84575%0.753SS**  trans-63.9130.9169.9-78.9-41.6000110.5A613 E617A613-D615 PolarHBondContact O-N 2.8Å; D615-E617 PolarHBondContact O-N 3.29Å; D615-E617 VanDerWaalsContact O-N 3.15Å
616K46.1Very low40.4Very low199 Ų199141.9 Ų141.987%0.86575%0.749SS**  trans-86.571.2-167.8-65.3176.9178.2174.30112.3
617E34.7Very low39.8Very low176 Ų176142.2 Ų142.282%0.82276%0.755SS**  trans-136.5129.8163.6-66-169.7168.200110D615D615-E617 PolarHBondContact O-N 3.29Å; D615-E617 VanDerWaalsContact O-N 3.15Å
618D34.8Very low38.7Very low150 Ų150139 Ų13980%0.80275%0.747SS**  trans80.471.6167.4-49.5-31.9000119.3
619V42Very low37.8Very low136 Ų136145.3 Ų145.382%0.82477%0.766SS**  trans-106.7102.3149.1-176.30000108.3T621V619-T621 PolarHBondContact O-N 3.39Å
620P35.6Very low36.5Very low118 Ų118143 Ų14377%0.76676%0.76SS**  trans-56.4133.9-179.8-28.336.5000112.9E622P620-E622 PolarHBondContact O-N 2.97Å
621T41Very low35.8Very low136 Ų136144.2 Ų144.283%0.83477%0.766SS**  trans-9952.7-168.2-21.50000111.2V619V619-T621 PolarHBondContact O-N 3.39Å
622E29.3Very low35.1Very low182 Ų182145.7 Ų145.785%0.8577%0.767SS**  trans-134.2146.1173-68.1-157.2165.600111.9P620P620-E622 PolarHBondContact O-N 2.97Å
623E29.3Very low34.4Very low166 Ų166146.7 Ų146.778%0.77676%0.764SS**  trans84.261.9179.5-55.3-170.9164.500117.5N625E623-N625 VanDerWaalsContact C-N 3.28Å; E623-N625 PolarHBondContact O-N 3.21Å
624W32.6Very low34Very low225 Ų225149.2 Ų149.285%0.85277%0.766SS**  trans-81.980143.4-71.785000109I626W624-I626 PolarHBondContact O-N 3.43Å; W624-I626 VanDerWaalsContact O-N 3.12Å
625N30Very low33.5Very low130 Ų130150.2 Ų150.270%0.69577%0.767SS**  trans-74.7102.5166.8-82.5-2.7000108.6E623 V627E623-N625 VanDerWaalsContact C-N 3.28Å; E623-N625 PolarHBondContact O-N 3.21Å; N625-V627 VanDerWaalsContact C-N 3.33Å; N625-V627 PolarHBondContact O-N 3.1Å
626I30Very low33.2Very low148 Ų148149.2 Ų149.276%0.75976%0.762SS**  trans-64.9100.3162.8-63.3169000105.6W624 V628W624-I626 PolarHBondContact O-N 3.43Å; W624-I626 VanDerWaalsContact O-N 3.12Å; I626-V628 HydrophobicContact CG2-CG2 3.96Å; I626-V628 PolarHBondContact O-N 3.24Å
627V29.6Very low32.7Very low99 Ų99148.1 Ų148.160%0.676%0.76SS**  trans-69.593.1166.9-175.80000106.4N625 Y629N625-V627 VanDerWaalsContact C-N 3.33Å; N625-V627 PolarHBondContact O-N 3.1Å; V627-Y629 HydrophobicContact CG1-CD1 4.43Å; V627-Y629 HydrophobicContact CG1-CD2 4.3Å; V627-Y629 HydrophobicContact CG1-CE1 4.24Å; V627-Y629 HydrophobicContact CG1-CE2 4.1Å; V627-Y629 HydrophobicContact CG1-CG 4.46Å; V627-Y629 PolarHBondContact O-N 2.75Å
628V29.3Very low32.7Very low95 Ų95146.9 Ų146.958%0.57676%0.759SS**  trans-70.3113156.8-176.40000104.2I626 D630I626-V628 HydrophobicContact CG2-CG2 3.96Å; I626-V628 PolarHBondContact O-N 3.24Å; V628-D630 VanDerWaalsContact C-N 3.31Å; V628-D630 PolarHBondContact O-N 2.66Å; V628-D630 VanDerWaalsContact O-N 3.09Å
629Y30.9Very low32.6Very low212 Ų212148.7 Ų148.783%0.83176%0.762SS**  trans-71.1101.3162.8-67.3-86.3000105.2V627V627-Y629 HydrophobicContact CG1-CD1 4.43Å; V627-Y629 HydrophobicContact CG1-CD2 4.3Å; V627-Y629 HydrophobicContact CG1-CE1 4.24Å; V627-Y629 HydrophobicContact CG1-CE2 4.1Å; V627-Y629 HydrophobicContact CG1-CG 4.46Å; V627-Y629 PolarHBondContact O-N 2.75Å
630D25.6Very low32.2Very low127 Ų127149.6 Ų149.668%0.67976%0.762SS**  trans-67132.1165.7-67-36.7000108V628V628-D630 VanDerWaalsContact C-N 3.31Å; V628-D630 PolarHBondContact O-N 2.66Å; V628-D630 VanDerWaalsContact O-N 3.09Å
631D30.7Very low32Very low130 Ų130153.2 Ų153.270%0.69577%0.769SS**  trans24.7113.4151.2-51.5-32.1000118.6
632D31.8Very low31.6Very low153 Ų153150.3 Ų150.382%0.81877%0.767SS**  trans-121.1108.4134.3-75.4-49.1000105.9D634D632-D634 PolarHBondContact O-N 2.9Å
633D31.7Very low31.6Very low139 Ų139146.8 Ų146.874%0.74376%0.762SS**  trans-61.187.9164.9-73.3-53.8000107.8D635D633-D635 PolarHBondContact O-N 2.84Å
634D35.9Very low31.6Very low133 Ų133144.8 Ų144.871%0.71176%0.763SS**  trans-72.886.9163.2-71.1-39000106.9D632 D636D632-D634 PolarHBondContact O-N 2.9Å; D634-D636 VanDerWaalsContact C-N 3.26Å; D634-D636 PolarHBondContact O-N 3.37Å
635D31.8Very low31.6Very low143 Ų143141.2 Ų141.277%0.76576%0.76SS**  trans-52.996154.2-76.9-45.6000107.1D633 E637D633-D635 PolarHBondContact O-N 2.84Å; D635-E637 PolarHBondContact O-N 3.07Å
636D35.3Very low31.2Very low136 Ų136142 Ų14273%0.72776%0.764SS**  trans-65.981.6167.5-73.6-50.8000106.8D634 D638D634-D636 VanDerWaalsContact C-N 3.26Å; D634-D636 PolarHBondContact O-N 3.37Å; D636-D638 PolarHBondContact O-N 3.35Å
637E35.5Very low31.2Very low177 Ų177145.7 Ų145.783%0.82777%0.77SS**  trans-62.4116.2161.8-78-173.4164.900107.6D635 E639D635-E637 PolarHBondContact O-N 3.07Å; E637-E639 PolarHBondContact O-N 3.31Å
638D33.5Very low31Very low149 Ų149149.1 Ų149.180%0.79778%0.779SS**  trans-58.499.4175-64.5-64.6000109.8D636 D640D636-D638 PolarHBondContact O-N 3.35Å; D638-D640 PolarHBondContact O-N 2.85Å
639E33.8Very low30.7Very low188 Ų188151.2 Ų151.288%0.87979%0.787SS**  trans-69.482.3163.8-75.1-175.3168.800108.8E637 E641E637-E639 PolarHBondContact O-N 3.31Å; E639-E641 PolarHBondContact O-N 3.47Å; E639-E641 VanDerWaalsContact O-N 3.09Å
640D34Very low30.5Very low155 Ų155149.7 Ų149.783%0.82979%0.787SS**  trans-64.2102.5165.1-92.3-38.5000109.1D638 G642D638-D640 PolarHBondContact O-N 2.85Å; D640-G642 PolarHBondContact O-N 3.24Å
641E30.8Very low30.5Very low194 Ų194150.2 Ų150.291%0.90779%0.79SS**  trans-60.696.6169-69.5-167.9169.300110.7E639E639-E641 PolarHBondContact O-N 3.47Å; E639-E641 VanDerWaalsContact O-N 3.09Å
642G32.4Very low30.2Very low76 Ų76148.6 Ų148.678%0.78479%0.789SS**PPolyproline II helixtrans-83.5116.7168.600000111.9D640D640-G642 PolarHBondContact O-N 3.24Å
643S28.4Very low30.1Very low108 Ų108148 Ų14876%0.75579%0.786SS**PPolyproline II helixtrans-55.4151.2-177.3-65.90000116.1
644P30.9Very low29.7Very low123 Ų123147.3 Ų147.380%0.79979%0.786SS**PPolyproline II helixtrans-71.6137.5-174.8-17.833000114.4
645I31.4Very low29.2Very low151 Ų151147.4 Ų147.477%0.77479%0.786SS**  trans-123.6112161.9-64.9176.4000107.3Y647I645-Y647 HydrophobicContact CG2-CD2 4.31Å; I645-Y647 HydrophobicContact CG2-CE2 4.45Å
646D21.3Very low29.1Very low146 Ų146147.1 Ų147.178%0.78178%0.784SS**  trans-65.8130.6169.2-65.5-51.7000110.6
647Y31.5Very low28.5Very low226 Ų226148.4 Ų148.489%0.88679%0.791SS**  trans-146.6136.1141.8-88-73.4000109.8I645I645-Y647 HydrophobicContact CG2-CD2 4.31Å; I645-Y647 HydrophobicContact CG2-CE2 4.45Å
648E23.8Very low27.9Very low171 Ų171144 Ų14480%0.79979%0.793SS**  trans-68.2153.3-173.8-60.1-174.3149.100114
649D23.8Very low27.7Very low139 Ų139140.8 Ų140.874%0.74380%0.795SS**  trans46117.6140-57.9-32.8000120
650E26.8Very low27.2Very low179 Ų179138.6 Ų138.684%0.83680%0.795SS**  165.6124.5109.5-86.6-174.9176.800111.7
651D24.8Very low27.1Very low139 Ų139136.9 Ų136.974%0.74379%0.794SS**  trans54.3112138.8-70.8-27.4000123.1
652S25.6Very low26.8Very low95 Ų95134.8 Ų134.866%0.66479%0.789SS**  86.8144.1118.678.40000121.2
653N28.4Very low26.5Very low140 Ų140136.9 Ų136.975%0.74979%0.787SS**  trans91.190.8170.7-55.8-38.9000115.2
654V23.9Very low26.5Very low125 Ų125138.9 Ų138.976%0.75879%0.794SS**  60.6115.576.1-169.60000111.7
655I24.8Very low26.5Very low136 Ų136136.8 Ų136.870%0.69780%0.795SS**  151.8129.6125-75.6-173.9000112.6
656N30.1Very low26.3Very low136 Ų136137.7 Ų137.773%0.72780%0.8SS**  trans79.4105160.8-65.8-15.2000118.4
657D22.7Very low26.9Very low163 Ų163138.7 Ų138.787%0.87281%0.805SS**  62.2120.861.9-72.3-28.8000115.6
658G24.4Very low26.7Very low85 Ų85134.7 Ų134.788%0.87680%0.799SS**  trans125.2105.4142.700000116
659G28.4Very low26.8Very low82 Ų82131.4 Ų131.485%0.84579%0.791SS**  trans169.435.8165.300000118.7
660T24.2Very low27.2Very low142 Ų142132.3 Ų132.387%0.87179%0.79SS**  trans-83.3122.8164.6500000110.1
661C29.9Very low27.2Very low119 Ų119128.2 Ų128.280%0.80479%0.786SS**  trans-154.198.515559.50000112.1
662D24.9Very low27.9Very low150 Ų150130.6 Ų130.680%0.80279%0.79SS**  trans26.1118.6133.9-62.7-25.7000121.4
663T27.2Very low28.5Very low120 Ų120136 Ų13674%0.73682%0.82SS**  0.5125.5124.352.30000117.8
664T28.1Very low28.5Very low149 Ų149135.8 Ų135.891%0.91482%0.823SS**  trans139.6100.214053.30000111.8
665G31Very low28.8Very low79 Ų79136.4 Ų136.481%0.81483%0.827SS**  trans-15159176.800000111.5L667G665-L667 PolarHBondContact O-N 2.97Å
666L27.4Very low29Very low170 Ų170136.4 Ų136.489%0.8983%0.834SS**  trans-70.4107.5163.5-85.2164.6000109.5
667L33Very low28.9Very low168 Ų168136.4 Ų136.488%0.8884%0.84SS**  trans-147.688.4157.8-82.7172.3000107.5G665G665-L667 PolarHBondContact O-N 2.97Å
668N26.7Very low29.3Very low142 Ų142134.8 Ų134.876%0.75984%0.838SS**  53.6112.789.7-100-0.1000116.7
669V26.8Very low29.6Very low102 Ų102138.1 Ų138.162%0.61884%0.836SS**  trans78.6114.9135.4-169.40000118.1
670H32.2Very low29.7Very low158 Ų158142.1 Ų142.173%0.73184%0.835SS**  -168.6113.1103.5-109.4-74.2000112.9
671A27.9Very low30.2Very low92 Ų92142.1 Ų142.176%0.7683%0.832SS**  trans-67.5138.6156.600000109.7
672F39.2Very low30.2Very low189 Ų189144 Ų14483%0.82984%0.835SS**  trans-117.8135.4160.2-92.5-86.4000108.4
673T37.8Very low30.6Very low209 Ų209143.5 Ų143.5100%1.28284%0.838SS**  trans-48.90-167.352.10000117.3

Retrieved 673 of 673 residues in 199.5 ms (Link to these results)

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